USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 786 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 70 TYR OH : rot 58:sc= 1.48 USER MOD Set 2.1: A 32 TYR OH : rot -39:sc= -0.0563 USER MOD Set 2.2: A 40 CYS SG : rot -3:sc= -0.0113 USER MOD Set 3.1: A 15 MET CE :methyl -152:sc= -0.226 (180deg=-1.91!) USER MOD Set 3.2: A 18 MET CE :methyl 167:sc=-0.00773 (180deg=-0.0388) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0712 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.3) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 20 ASN : amide:sc= -0.146 K(o=-0.15,f=-2!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.0191 X(o=-0.019,f=-0.0047) USER MOD Single : A 31 SER OG : rot -63:sc= 0.845 USER MOD Single : A 43 LYS NZ :NH3+ 144:sc= -0.0478 (180deg=-1.62!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.158 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= -3.57! C(o=-3.6!,f=-3.7!) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.427 USER MOD Single : A 72 ASN : amide:sc= -0.171 K(o=-0.17,f=-0.97) USER MOD Single : A 78 SER OG : rot -73:sc= 0.742 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.538 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.92 USER MOD Single : A 89 SER OG : rot 167:sc= -0.902 USER MOD Single : A 90 THR OG1 : rot 47:sc= 1.08 USER MOD Single : A 96 GLN : amide:sc= 0.543 K(o=0.54,f=-0.0037) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.516 -16.069 5.725 1.00 0.00 N ATOM 2 CA GLY A 1 -21.703 -15.504 6.340 1.00 0.00 C ATOM 3 C GLY A 1 -21.745 -15.734 7.838 1.00 0.00 C ATOM 4 O GLY A 1 -20.740 -16.104 8.444 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.024 -15.333 5.179 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.882 -16.433 6.464 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.790 -16.846 5.091 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.738 -14.433 6.139 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.590 -15.944 5.883 1.00 0.00 H new ATOM 8 N SER A 2 -22.911 -15.513 8.436 1.00 0.00 N ATOM 9 CA SER A 2 -23.078 -15.693 9.874 1.00 0.00 C ATOM 10 C SER A 2 -22.335 -16.935 10.356 1.00 0.00 C ATOM 11 O SER A 2 -21.514 -16.864 11.270 1.00 0.00 O ATOM 12 CB SER A 2 -24.563 -15.805 10.225 1.00 0.00 C ATOM 13 OG SER A 2 -25.135 -14.526 10.440 1.00 0.00 O ATOM 0 H SER A 2 -23.754 -15.209 7.948 1.00 0.00 H new ATOM 0 HA SER A 2 -22.657 -14.822 10.376 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.093 -16.313 9.419 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.683 -16.416 11.120 1.00 0.00 H new ATOM 0 HG SER A 2 -26.085 -14.625 10.661 1.00 0.00 H new ATOM 19 N SER A 3 -22.629 -18.072 9.734 1.00 0.00 N ATOM 20 CA SER A 3 -21.993 -19.331 10.101 1.00 0.00 C ATOM 21 C SER A 3 -20.809 -19.629 9.185 1.00 0.00 C ATOM 22 O SER A 3 -20.983 -20.085 8.056 1.00 0.00 O ATOM 23 CB SER A 3 -23.004 -20.477 10.035 1.00 0.00 C ATOM 24 OG SER A 3 -23.922 -20.410 11.112 1.00 0.00 O ATOM 0 H SER A 3 -23.304 -18.147 8.973 1.00 0.00 H new ATOM 0 HA SER A 3 -21.626 -19.239 11.123 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.544 -20.435 9.089 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.478 -21.432 10.060 1.00 0.00 H new ATOM 0 HG SER A 3 -24.558 -21.152 11.046 1.00 0.00 H new ATOM 30 N GLY A 4 -19.604 -19.367 9.682 1.00 0.00 N ATOM 31 CA GLY A 4 -18.409 -19.612 8.896 1.00 0.00 C ATOM 32 C GLY A 4 -17.267 -20.157 9.732 1.00 0.00 C ATOM 33 O GLY A 4 -17.257 -20.008 10.954 1.00 0.00 O ATOM 0 H GLY A 4 -19.434 -18.990 10.614 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.641 -20.318 8.099 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.095 -18.684 8.419 1.00 0.00 H new ATOM 37 N SER A 5 -16.304 -20.793 9.072 1.00 0.00 N ATOM 38 CA SER A 5 -15.156 -21.368 9.763 1.00 0.00 C ATOM 39 C SER A 5 -13.964 -20.416 9.719 1.00 0.00 C ATOM 40 O SER A 5 -13.336 -20.238 8.675 1.00 0.00 O ATOM 41 CB SER A 5 -14.775 -22.710 9.135 1.00 0.00 C ATOM 42 OG SER A 5 -13.613 -23.246 9.742 1.00 0.00 O ATOM 0 H SER A 5 -16.296 -20.923 8.060 1.00 0.00 H new ATOM 0 HA SER A 5 -15.433 -21.529 10.805 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.602 -23.412 9.242 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.603 -22.579 8.067 1.00 0.00 H new ATOM 0 HG SER A 5 -13.392 -24.104 9.324 1.00 0.00 H new ATOM 48 N SER A 6 -13.658 -19.808 10.861 1.00 0.00 N ATOM 49 CA SER A 6 -12.544 -18.871 10.953 1.00 0.00 C ATOM 50 C SER A 6 -11.233 -19.547 10.563 1.00 0.00 C ATOM 51 O SER A 6 -10.791 -20.492 11.215 1.00 0.00 O ATOM 52 CB SER A 6 -12.439 -18.309 12.372 1.00 0.00 C ATOM 53 OG SER A 6 -13.646 -17.677 12.761 1.00 0.00 O ATOM 0 H SER A 6 -14.165 -19.947 11.735 1.00 0.00 H new ATOM 0 HA SER A 6 -12.731 -18.052 10.259 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.205 -19.114 13.069 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.618 -17.594 12.424 1.00 0.00 H new ATOM 0 HG SER A 6 -13.554 -17.328 13.672 1.00 0.00 H new ATOM 59 N GLY A 7 -10.615 -19.054 9.494 1.00 0.00 N ATOM 60 CA GLY A 7 -9.361 -19.621 9.035 1.00 0.00 C ATOM 61 C GLY A 7 -8.768 -18.850 7.872 1.00 0.00 C ATOM 62 O GLY A 7 -9.466 -18.094 7.199 1.00 0.00 O ATOM 0 H GLY A 7 -10.961 -18.272 8.938 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.648 -19.634 9.860 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.522 -20.657 8.736 1.00 0.00 H new ATOM 66 N GLY A 8 -7.473 -19.042 7.636 1.00 0.00 N ATOM 67 CA GLY A 8 -6.807 -18.351 6.547 1.00 0.00 C ATOM 68 C GLY A 8 -5.392 -17.940 6.900 1.00 0.00 C ATOM 69 O GLY A 8 -4.823 -18.421 7.881 1.00 0.00 O ATOM 0 H GLY A 8 -6.874 -19.663 8.179 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.786 -18.997 5.670 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.382 -17.466 6.277 1.00 0.00 H new ATOM 73 N THR A 9 -4.819 -17.047 6.099 1.00 0.00 N ATOM 74 CA THR A 9 -3.460 -16.574 6.330 1.00 0.00 C ATOM 75 C THR A 9 -3.448 -15.374 7.270 1.00 0.00 C ATOM 76 O THR A 9 -4.386 -14.577 7.285 1.00 0.00 O ATOM 77 CB THR A 9 -2.769 -16.184 5.010 1.00 0.00 C ATOM 78 OG1 THR A 9 -2.956 -17.216 4.035 1.00 0.00 O ATOM 79 CG2 THR A 9 -1.282 -15.948 5.227 1.00 0.00 C ATOM 0 H THR A 9 -5.275 -16.637 5.284 1.00 0.00 H new ATOM 0 HA THR A 9 -2.913 -17.397 6.789 1.00 0.00 H new ATOM 0 HB THR A 9 -3.219 -15.259 4.650 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.515 -16.959 3.198 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.815 -15.674 4.281 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.143 -15.142 5.947 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.821 -16.859 5.608 1.00 0.00 H new ATOM 87 N GLN A 10 -2.381 -15.252 8.053 1.00 0.00 N ATOM 88 CA GLN A 10 -2.248 -14.148 8.996 1.00 0.00 C ATOM 89 C GLN A 10 -2.885 -12.878 8.442 1.00 0.00 C ATOM 90 O GLN A 10 -3.842 -12.351 9.011 1.00 0.00 O ATOM 91 CB GLN A 10 -0.774 -13.897 9.315 1.00 0.00 C ATOM 92 CG GLN A 10 -0.203 -14.853 10.350 1.00 0.00 C ATOM 93 CD GLN A 10 -0.222 -16.296 9.884 1.00 0.00 C ATOM 94 OE1 GLN A 10 -1.095 -17.073 10.271 1.00 0.00 O ATOM 95 NE2 GLN A 10 0.743 -16.661 9.049 1.00 0.00 N ATOM 0 H GLN A 10 -1.596 -15.904 8.053 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.769 -14.422 9.913 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.193 -13.980 8.396 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.658 -12.874 9.674 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.822 -14.563 10.581 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -0.774 -14.766 11.274 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.446 -15.983 8.755 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.781 -17.619 8.702 1.00 0.00 H new ATOM 104 N LEU A 11 -2.348 -12.392 7.328 1.00 0.00 N ATOM 105 CA LEU A 11 -2.864 -11.182 6.696 1.00 0.00 C ATOM 106 C LEU A 11 -4.360 -11.304 6.427 1.00 0.00 C ATOM 107 O LEU A 11 -5.124 -10.373 6.682 1.00 0.00 O ATOM 108 CB LEU A 11 -2.119 -10.910 5.387 1.00 0.00 C ATOM 109 CG LEU A 11 -2.310 -9.518 4.783 1.00 0.00 C ATOM 110 CD1 LEU A 11 -1.743 -8.453 5.709 1.00 0.00 C ATOM 111 CD2 LEU A 11 -1.657 -9.438 3.411 1.00 0.00 C ATOM 0 H LEU A 11 -1.557 -12.816 6.844 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.703 -10.348 7.379 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.054 -11.067 5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.435 -11.650 4.652 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.378 -9.337 4.665 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.888 -7.469 5.263 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.256 -8.495 6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.678 -8.631 5.859 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.803 -8.441 2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.590 -9.640 3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.110 -10.176 2.749 1.00 0.00 H new ATOM 123 N GLU A 12 -4.772 -12.458 5.911 1.00 0.00 N ATOM 124 CA GLU A 12 -6.177 -12.701 5.609 1.00 0.00 C ATOM 125 C GLU A 12 -7.037 -12.547 6.860 1.00 0.00 C ATOM 126 O GLU A 12 -8.125 -11.973 6.813 1.00 0.00 O ATOM 127 CB GLU A 12 -6.361 -14.102 5.021 1.00 0.00 C ATOM 128 CG GLU A 12 -6.254 -14.144 3.506 1.00 0.00 C ATOM 129 CD GLU A 12 -7.388 -13.406 2.820 1.00 0.00 C ATOM 130 OE1 GLU A 12 -7.379 -12.158 2.836 1.00 0.00 O ATOM 131 OE2 GLU A 12 -8.284 -14.078 2.268 1.00 0.00 O ATOM 0 H GLU A 12 -4.153 -13.239 5.694 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.497 -11.961 4.875 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.611 -14.768 5.449 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.336 -14.487 5.319 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.304 -13.707 3.200 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.248 -15.182 3.175 1.00 0.00 H new ATOM 138 N LYS A 13 -6.541 -13.065 7.979 1.00 0.00 N ATOM 139 CA LYS A 13 -7.262 -12.985 9.245 1.00 0.00 C ATOM 140 C LYS A 13 -7.568 -11.535 9.606 1.00 0.00 C ATOM 141 O LYS A 13 -8.731 -11.148 9.731 1.00 0.00 O ATOM 142 CB LYS A 13 -6.445 -13.638 10.362 1.00 0.00 C ATOM 143 CG LYS A 13 -6.588 -15.149 10.416 1.00 0.00 C ATOM 144 CD LYS A 13 -5.404 -15.797 11.113 1.00 0.00 C ATOM 145 CE LYS A 13 -5.534 -15.714 12.626 1.00 0.00 C ATOM 146 NZ LYS A 13 -4.852 -16.850 13.305 1.00 0.00 N ATOM 0 H LYS A 13 -5.643 -13.545 8.035 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.205 -13.520 9.132 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.393 -13.386 10.227 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.753 -13.218 11.319 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.507 -15.410 10.940 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.676 -15.543 9.404 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.329 -16.841 10.810 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.483 -15.307 10.799 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.108 -14.774 12.976 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.589 -15.708 12.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.964 -16.757 14.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.275 -17.747 12.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.840 -16.841 13.064 1.00 0.00 H new ATOM 160 N LEU A 14 -6.519 -10.737 9.771 1.00 0.00 N ATOM 161 CA LEU A 14 -6.677 -9.328 10.116 1.00 0.00 C ATOM 162 C LEU A 14 -7.503 -8.598 9.062 1.00 0.00 C ATOM 163 O LEU A 14 -8.531 -7.997 9.372 1.00 0.00 O ATOM 164 CB LEU A 14 -5.307 -8.662 10.259 1.00 0.00 C ATOM 165 CG LEU A 14 -5.318 -7.176 10.620 1.00 0.00 C ATOM 166 CD1 LEU A 14 -5.269 -6.993 12.129 1.00 0.00 C ATOM 167 CD2 LEU A 14 -4.153 -6.457 9.956 1.00 0.00 C ATOM 0 H LEU A 14 -5.550 -11.041 9.672 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.204 -9.269 11.068 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.743 -9.197 11.023 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.766 -8.783 9.320 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.246 -6.739 10.251 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.278 -5.929 12.367 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.136 -7.473 12.582 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.358 -7.445 12.521 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.177 -5.401 10.224 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.214 -6.896 10.294 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.232 -6.558 8.874 1.00 0.00 H new ATOM 179 N MET A 15 -7.047 -8.657 7.815 1.00 0.00 N ATOM 180 CA MET A 15 -7.746 -8.004 6.714 1.00 0.00 C ATOM 181 C MET A 15 -9.231 -8.354 6.730 1.00 0.00 C ATOM 182 O MET A 15 -10.086 -7.471 6.676 1.00 0.00 O ATOM 183 CB MET A 15 -7.128 -8.412 5.376 1.00 0.00 C ATOM 184 CG MET A 15 -5.798 -7.734 5.089 1.00 0.00 C ATOM 185 SD MET A 15 -4.911 -7.280 6.592 1.00 0.00 S ATOM 186 CE MET A 15 -4.897 -5.495 6.451 1.00 0.00 C ATOM 0 H MET A 15 -6.197 -9.150 7.542 1.00 0.00 H new ATOM 0 HA MET A 15 -7.643 -6.926 6.839 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.985 -9.493 5.365 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.828 -8.175 4.575 1.00 0.00 H new ATOM 0 HG2 MET A 15 -5.176 -8.401 4.492 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.972 -6.840 4.490 1.00 0.00 H new ATOM 0 HE1 MET A 15 -4.023 -5.096 6.966 1.00 0.00 H new ATOM 0 HE2 MET A 15 -4.858 -5.213 5.399 1.00 0.00 H new ATOM 0 HE3 MET A 15 -5.802 -5.087 6.902 1.00 0.00 H new ATOM 196 N GLU A 16 -9.529 -9.648 6.803 1.00 0.00 N ATOM 197 CA GLU A 16 -10.911 -10.112 6.824 1.00 0.00 C ATOM 198 C GLU A 16 -11.742 -9.302 7.814 1.00 0.00 C ATOM 199 O GLU A 16 -12.888 -8.951 7.537 1.00 0.00 O ATOM 200 CB GLU A 16 -10.967 -11.597 7.188 1.00 0.00 C ATOM 201 CG GLU A 16 -12.358 -12.080 7.563 1.00 0.00 C ATOM 202 CD GLU A 16 -13.300 -12.125 6.375 1.00 0.00 C ATOM 203 OE1 GLU A 16 -13.357 -11.129 5.624 1.00 0.00 O ATOM 204 OE2 GLU A 16 -13.979 -13.158 6.197 1.00 0.00 O ATOM 0 H GLU A 16 -8.833 -10.392 6.848 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.330 -9.973 5.827 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.603 -12.183 6.344 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.290 -11.784 8.021 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.287 -13.075 8.003 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.773 -11.422 8.327 1.00 0.00 H new ATOM 211 N ASN A 17 -11.156 -9.010 8.970 1.00 0.00 N ATOM 212 CA ASN A 17 -11.842 -8.243 10.003 1.00 0.00 C ATOM 213 C ASN A 17 -12.051 -6.798 9.559 1.00 0.00 C ATOM 214 O ASN A 17 -13.123 -6.227 9.754 1.00 0.00 O ATOM 215 CB ASN A 17 -11.044 -8.277 11.308 1.00 0.00 C ATOM 216 CG ASN A 17 -10.867 -9.685 11.841 1.00 0.00 C ATOM 217 OD1 ASN A 17 -11.725 -10.546 11.648 1.00 0.00 O ATOM 218 ND2 ASN A 17 -9.749 -9.926 12.517 1.00 0.00 N ATOM 0 H ASN A 17 -10.207 -9.293 9.215 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.818 -8.698 10.170 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.065 -7.828 11.143 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.552 -7.669 12.057 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.575 -10.855 12.900 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.065 -9.182 12.653 1.00 0.00 H new ATOM 225 N MET A 18 -11.018 -6.214 8.960 1.00 0.00 N ATOM 226 CA MET A 18 -11.089 -4.836 8.487 1.00 0.00 C ATOM 227 C MET A 18 -12.069 -4.711 7.324 1.00 0.00 C ATOM 228 O MET A 18 -13.054 -3.978 7.407 1.00 0.00 O ATOM 229 CB MET A 18 -9.704 -4.350 8.056 1.00 0.00 C ATOM 230 CG MET A 18 -9.704 -2.939 7.493 1.00 0.00 C ATOM 231 SD MET A 18 -8.090 -2.446 6.855 1.00 0.00 S ATOM 232 CE MET A 18 -8.084 -3.280 5.270 1.00 0.00 C ATOM 0 H MET A 18 -10.123 -6.673 8.791 1.00 0.00 H new ATOM 0 HA MET A 18 -11.445 -4.214 9.308 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.031 -4.391 8.912 1.00 0.00 H new ATOM 0 HB3 MET A 18 -9.306 -5.032 7.305 1.00 0.00 H new ATOM 0 HG2 MET A 18 -10.443 -2.871 6.694 1.00 0.00 H new ATOM 0 HG3 MET A 18 -10.011 -2.241 8.272 1.00 0.00 H new ATOM 0 HE1 MET A 18 -7.267 -2.895 4.659 1.00 0.00 H new ATOM 0 HE2 MET A 18 -7.950 -4.351 5.423 1.00 0.00 H new ATOM 0 HE3 MET A 18 -9.032 -3.102 4.762 1.00 0.00 H new ATOM 242 N ARG A 19 -11.792 -5.431 6.242 1.00 0.00 N ATOM 243 CA ARG A 19 -12.648 -5.399 5.063 1.00 0.00 C ATOM 244 C ARG A 19 -14.121 -5.384 5.460 1.00 0.00 C ATOM 245 O ARG A 19 -14.958 -4.819 4.758 1.00 0.00 O ATOM 246 CB ARG A 19 -12.363 -6.605 4.166 1.00 0.00 C ATOM 247 CG ARG A 19 -11.008 -6.547 3.479 1.00 0.00 C ATOM 248 CD ARG A 19 -10.763 -7.782 2.626 1.00 0.00 C ATOM 249 NE ARG A 19 -10.455 -8.956 3.438 1.00 0.00 N ATOM 250 CZ ARG A 19 -9.944 -10.078 2.943 1.00 0.00 C ATOM 251 NH1 ARG A 19 -9.684 -10.177 1.647 1.00 0.00 N ATOM 252 NH2 ARG A 19 -9.691 -11.103 3.747 1.00 0.00 N ATOM 0 H ARG A 19 -10.981 -6.044 6.158 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.429 -4.485 4.511 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.418 -7.514 4.765 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.143 -6.675 3.408 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.953 -5.655 2.854 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.222 -6.460 4.229 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.645 -7.983 2.018 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.939 -7.590 1.939 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.642 -8.912 4.440 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.876 -9.390 1.027 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.292 -11.040 1.270 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.889 -11.029 4.745 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.299 -11.964 3.367 1.00 0.00 H new ATOM 266 N ASN A 20 -14.429 -6.009 6.592 1.00 0.00 N ATOM 267 CA ASN A 20 -15.801 -6.068 7.083 1.00 0.00 C ATOM 268 C ASN A 20 -16.294 -4.683 7.489 1.00 0.00 C ATOM 269 O ASN A 20 -17.137 -4.090 6.815 1.00 0.00 O ATOM 270 CB ASN A 20 -15.898 -7.025 8.273 1.00 0.00 C ATOM 271 CG ASN A 20 -16.035 -8.473 7.841 1.00 0.00 C ATOM 272 OD1 ASN A 20 -16.455 -8.760 6.720 1.00 0.00 O ATOM 273 ND2 ASN A 20 -15.681 -9.392 8.731 1.00 0.00 N ATOM 0 H ASN A 20 -13.748 -6.481 7.186 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.434 -6.437 6.276 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.010 -6.917 8.896 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.755 -6.750 8.888 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.752 -10.382 8.497 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -15.338 -9.108 9.649 1.00 0.00 H new ATOM 280 N ASP A 21 -15.763 -4.172 8.595 1.00 0.00 N ATOM 281 CA ASP A 21 -16.147 -2.856 9.091 1.00 0.00 C ATOM 282 C ASP A 21 -15.839 -1.775 8.059 1.00 0.00 C ATOM 283 O ASP A 21 -16.414 -0.687 8.095 1.00 0.00 O ATOM 284 CB ASP A 21 -15.420 -2.549 10.401 1.00 0.00 C ATOM 285 CG ASP A 21 -16.237 -1.665 11.323 1.00 0.00 C ATOM 286 OD1 ASP A 21 -17.231 -2.162 11.894 1.00 0.00 O ATOM 287 OD2 ASP A 21 -15.883 -0.478 11.474 1.00 0.00 O ATOM 0 H ASP A 21 -15.065 -4.650 9.165 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.222 -2.863 9.274 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.186 -3.483 10.911 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.471 -2.060 10.181 1.00 0.00 H new ATOM 292 N ILE A 22 -14.928 -2.083 7.141 1.00 0.00 N ATOM 293 CA ILE A 22 -14.544 -1.138 6.100 1.00 0.00 C ATOM 294 C ILE A 22 -15.531 -1.170 4.938 1.00 0.00 C ATOM 295 O ILE A 22 -15.837 -0.138 4.341 1.00 0.00 O ATOM 296 CB ILE A 22 -13.130 -1.433 5.566 1.00 0.00 C ATOM 297 CG1 ILE A 22 -12.079 -0.729 6.427 1.00 0.00 C ATOM 298 CG2 ILE A 22 -13.011 -0.997 4.113 1.00 0.00 C ATOM 299 CD1 ILE A 22 -12.087 0.776 6.279 1.00 0.00 C ATOM 0 H ILE A 22 -14.443 -2.979 7.097 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.553 -0.147 6.554 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.955 -2.508 5.618 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -12.248 -0.984 7.473 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.092 -1.107 6.162 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -12.006 -1.212 3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.739 -1.540 3.510 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.203 0.073 4.037 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.317 1.209 6.918 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.888 1.041 5.241 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.062 1.165 6.572 1.00 0.00 H new ATOM 311 N ALA A 23 -16.028 -2.362 4.623 1.00 0.00 N ATOM 312 CA ALA A 23 -16.984 -2.528 3.535 1.00 0.00 C ATOM 313 C ALA A 23 -18.398 -2.184 3.989 1.00 0.00 C ATOM 314 O ALA A 23 -19.272 -1.902 3.170 1.00 0.00 O ATOM 315 CB ALA A 23 -16.931 -3.951 2.999 1.00 0.00 C ATOM 0 H ALA A 23 -15.784 -3.227 5.106 1.00 0.00 H new ATOM 0 HA ALA A 23 -16.710 -1.840 2.735 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -17.650 -4.061 2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.928 -4.163 2.627 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -17.177 -4.650 3.798 1.00 0.00 H new ATOM 321 N SER A 24 -18.617 -2.210 5.300 1.00 0.00 N ATOM 322 CA SER A 24 -19.927 -1.905 5.863 1.00 0.00 C ATOM 323 C SER A 24 -20.011 -0.440 6.281 1.00 0.00 C ATOM 324 O SER A 24 -21.065 0.188 6.176 1.00 0.00 O ATOM 325 CB SER A 24 -20.211 -2.807 7.066 1.00 0.00 C ATOM 326 OG SER A 24 -21.605 -2.981 7.255 1.00 0.00 O ATOM 0 H SER A 24 -17.904 -2.439 5.992 1.00 0.00 H new ATOM 0 HA SER A 24 -20.677 -2.089 5.094 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.737 -3.777 6.917 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.771 -2.372 7.963 1.00 0.00 H new ATOM 0 HG SER A 24 -21.760 -3.562 8.029 1.00 0.00 H new ATOM 332 N HIS A 25 -18.892 0.099 6.755 1.00 0.00 N ATOM 333 CA HIS A 25 -18.838 1.490 7.189 1.00 0.00 C ATOM 334 C HIS A 25 -17.642 2.207 6.567 1.00 0.00 C ATOM 335 O HIS A 25 -16.817 2.804 7.259 1.00 0.00 O ATOM 336 CB HIS A 25 -18.758 1.569 8.714 1.00 0.00 C ATOM 337 CG HIS A 25 -20.096 1.555 9.385 1.00 0.00 C ATOM 338 ND1 HIS A 25 -20.497 2.519 10.285 1.00 0.00 N ATOM 339 CD2 HIS A 25 -21.129 0.686 9.282 1.00 0.00 C ATOM 340 CE1 HIS A 25 -21.718 2.244 10.708 1.00 0.00 C ATOM 341 NE2 HIS A 25 -22.124 1.136 10.114 1.00 0.00 N ATOM 0 H HIS A 25 -18.011 -0.406 6.848 1.00 0.00 H new ATOM 0 HA HIS A 25 -19.750 1.984 6.855 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -18.167 0.730 9.083 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -18.229 2.480 8.995 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -21.164 -0.197 8.661 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -22.287 2.826 11.418 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -23.030 0.688 10.251 1.00 0.00 H new ATOM 349 N PRO A 26 -17.545 2.146 5.231 1.00 0.00 N ATOM 350 CA PRO A 26 -16.454 2.784 4.487 1.00 0.00 C ATOM 351 C PRO A 26 -16.221 4.226 4.922 1.00 0.00 C ATOM 352 O PRO A 26 -17.151 4.952 5.275 1.00 0.00 O ATOM 353 CB PRO A 26 -16.938 2.735 3.036 1.00 0.00 C ATOM 354 CG PRO A 26 -17.869 1.573 2.986 1.00 0.00 C ATOM 355 CD PRO A 26 -18.493 1.452 4.343 1.00 0.00 C ATOM 0 HA PRO A 26 -15.501 2.281 4.650 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.443 3.659 2.756 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.105 2.605 2.345 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.632 1.723 2.223 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.333 0.660 2.725 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -19.480 1.915 4.372 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.621 0.409 4.632 1.00 0.00 H new ATOM 363 N PRO A 27 -14.950 4.655 4.898 1.00 0.00 N ATOM 364 CA PRO A 27 -14.566 6.015 5.286 1.00 0.00 C ATOM 365 C PRO A 27 -15.041 7.060 4.282 1.00 0.00 C ATOM 366 O PRO A 27 -15.367 6.736 3.140 1.00 0.00 O ATOM 367 CB PRO A 27 -13.036 5.957 5.314 1.00 0.00 C ATOM 368 CG PRO A 27 -12.682 4.854 4.378 1.00 0.00 C ATOM 369 CD PRO A 27 -13.791 3.844 4.488 1.00 0.00 C ATOM 0 HA PRO A 27 -15.013 6.310 6.236 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.598 6.903 4.995 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.666 5.757 6.320 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.591 5.223 3.357 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.722 4.410 4.643 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.970 3.338 3.539 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.560 3.072 5.222 1.00 0.00 H new ATOM 377 N VAL A 28 -15.077 8.316 4.716 1.00 0.00 N ATOM 378 CA VAL A 28 -15.511 9.410 3.855 1.00 0.00 C ATOM 379 C VAL A 28 -14.405 9.820 2.889 1.00 0.00 C ATOM 380 O VAL A 28 -13.276 10.085 3.300 1.00 0.00 O ATOM 381 CB VAL A 28 -15.938 10.638 4.680 1.00 0.00 C ATOM 382 CG1 VAL A 28 -16.342 11.783 3.763 1.00 0.00 C ATOM 383 CG2 VAL A 28 -17.074 10.275 5.625 1.00 0.00 C ATOM 0 H VAL A 28 -14.811 8.601 5.659 1.00 0.00 H new ATOM 0 HA VAL A 28 -16.368 9.046 3.289 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.088 10.966 5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.641 12.642 4.364 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.498 12.058 3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -17.177 11.470 3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.364 11.154 6.201 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -17.928 9.921 5.048 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -16.745 9.489 6.305 1.00 0.00 H new ATOM 393 N GLU A 29 -14.739 9.871 1.603 1.00 0.00 N ATOM 394 CA GLU A 29 -13.773 10.250 0.578 1.00 0.00 C ATOM 395 C GLU A 29 -13.368 11.714 0.725 1.00 0.00 C ATOM 396 O GLU A 29 -14.174 12.617 0.504 1.00 0.00 O ATOM 397 CB GLU A 29 -14.354 10.007 -0.816 1.00 0.00 C ATOM 398 CG GLU A 29 -15.292 11.107 -1.284 1.00 0.00 C ATOM 399 CD GLU A 29 -16.190 10.664 -2.423 1.00 0.00 C ATOM 400 OE1 GLU A 29 -17.054 9.792 -2.191 1.00 0.00 O ATOM 401 OE2 GLU A 29 -16.028 11.187 -3.545 1.00 0.00 O ATOM 0 H GLU A 29 -15.670 9.655 1.247 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.885 9.632 0.706 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.536 9.911 -1.530 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.891 9.058 -0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.908 11.434 -0.447 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.705 11.968 -1.603 1.00 0.00 H new ATOM 408 N GLY A 30 -12.113 11.940 1.102 1.00 0.00 N ATOM 409 CA GLY A 30 -11.623 13.295 1.273 1.00 0.00 C ATOM 410 C GLY A 30 -11.786 13.795 2.695 1.00 0.00 C ATOM 411 O GLY A 30 -11.956 14.992 2.924 1.00 0.00 O ATOM 0 H GLY A 30 -11.427 11.209 1.292 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.570 13.335 0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.157 13.960 0.594 1.00 0.00 H new ATOM 415 N SER A 31 -11.736 12.875 3.653 1.00 0.00 N ATOM 416 CA SER A 31 -11.884 13.228 5.060 1.00 0.00 C ATOM 417 C SER A 31 -10.554 13.100 5.796 1.00 0.00 C ATOM 418 O SER A 31 -10.263 13.868 6.714 1.00 0.00 O ATOM 419 CB SER A 31 -12.935 12.336 5.724 1.00 0.00 C ATOM 420 OG SER A 31 -12.658 10.965 5.496 1.00 0.00 O ATOM 0 H SER A 31 -11.594 11.880 3.480 1.00 0.00 H new ATOM 0 HA SER A 31 -12.211 14.266 5.115 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.958 12.532 6.796 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.923 12.580 5.334 1.00 0.00 H new ATOM 0 HG SER A 31 -12.701 10.778 4.535 1.00 0.00 H new ATOM 426 N TYR A 32 -9.751 12.124 5.387 1.00 0.00 N ATOM 427 CA TYR A 32 -8.452 11.892 6.008 1.00 0.00 C ATOM 428 C TYR A 32 -7.338 12.560 5.207 1.00 0.00 C ATOM 429 O TYR A 32 -7.241 12.385 3.993 1.00 0.00 O ATOM 430 CB TYR A 32 -8.181 10.392 6.127 1.00 0.00 C ATOM 431 CG TYR A 32 -6.721 10.054 6.329 1.00 0.00 C ATOM 432 CD1 TYR A 32 -5.837 10.036 5.258 1.00 0.00 C ATOM 433 CD2 TYR A 32 -6.226 9.756 7.592 1.00 0.00 C ATOM 434 CE1 TYR A 32 -4.503 9.727 5.438 1.00 0.00 C ATOM 435 CE2 TYR A 32 -4.892 9.447 7.782 1.00 0.00 C ATOM 436 CZ TYR A 32 -4.035 9.434 6.702 1.00 0.00 C ATOM 437 OH TYR A 32 -2.706 9.128 6.886 1.00 0.00 O ATOM 0 H TYR A 32 -9.977 11.481 4.628 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.471 12.331 7.005 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.757 9.993 6.962 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.539 9.894 5.226 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.199 10.268 4.267 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.895 9.766 8.440 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.830 9.715 4.594 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.523 9.217 8.771 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.391 8.576 6.140 1.00 0.00 H new ATOM 447 N ALA A 33 -6.500 13.326 5.897 1.00 0.00 N ATOM 448 CA ALA A 33 -5.391 14.018 5.253 1.00 0.00 C ATOM 449 C ALA A 33 -4.096 13.223 5.385 1.00 0.00 C ATOM 450 O ALA A 33 -3.538 13.076 6.472 1.00 0.00 O ATOM 451 CB ALA A 33 -5.221 15.409 5.845 1.00 0.00 C ATOM 0 H ALA A 33 -6.568 13.483 6.903 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.622 14.112 4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.389 15.914 5.354 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.135 15.983 5.693 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.017 15.328 6.913 1.00 0.00 H new ATOM 457 N PRO A 34 -3.606 12.696 4.253 1.00 0.00 N ATOM 458 CA PRO A 34 -2.371 11.907 4.217 1.00 0.00 C ATOM 459 C PRO A 34 -1.132 12.757 4.473 1.00 0.00 C ATOM 460 O PRO A 34 -0.923 13.780 3.820 1.00 0.00 O ATOM 461 CB PRO A 34 -2.350 11.346 2.792 1.00 0.00 C ATOM 462 CG PRO A 34 -3.156 12.312 1.993 1.00 0.00 C ATOM 463 CD PRO A 34 -4.219 12.831 2.921 1.00 0.00 C ATOM 0 HA PRO A 34 -2.354 11.141 4.992 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.331 11.270 2.411 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.780 10.345 2.754 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.533 13.125 1.620 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.600 11.825 1.124 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.474 13.867 2.700 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.139 12.252 2.842 1.00 0.00 H new ATOM 471 N ARG A 35 -0.312 12.328 5.427 1.00 0.00 N ATOM 472 CA ARG A 35 0.906 13.051 5.770 1.00 0.00 C ATOM 473 C ARG A 35 2.140 12.193 5.506 1.00 0.00 C ATOM 474 O ARG A 35 2.101 10.971 5.651 1.00 0.00 O ATOM 475 CB ARG A 35 0.875 13.480 7.238 1.00 0.00 C ATOM 476 CG ARG A 35 -0.365 14.275 7.613 1.00 0.00 C ATOM 477 CD ARG A 35 -0.151 15.768 7.415 1.00 0.00 C ATOM 478 NE ARG A 35 -1.391 16.524 7.571 1.00 0.00 N ATOM 479 CZ ARG A 35 -1.430 17.818 7.870 1.00 0.00 C ATOM 480 NH1 ARG A 35 -0.304 18.496 8.043 1.00 0.00 N ATOM 481 NH2 ARG A 35 -2.597 18.436 7.995 1.00 0.00 N ATOM 0 H ARG A 35 -0.469 11.483 5.976 1.00 0.00 H new ATOM 0 HA ARG A 35 0.960 13.939 5.141 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.932 12.593 7.869 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.760 14.080 7.451 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.208 13.944 7.007 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.624 14.078 8.653 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.585 16.127 8.134 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.260 15.947 6.421 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.275 16.032 7.443 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.595 18.024 7.947 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.337 19.489 8.272 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.465 17.918 7.862 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.626 19.429 8.225 1.00 0.00 H new ATOM 495 N ARG A 36 3.234 12.841 5.118 1.00 0.00 N ATOM 496 CA ARG A 36 4.478 12.137 4.832 1.00 0.00 C ATOM 497 C ARG A 36 4.964 11.373 6.060 1.00 0.00 C ATOM 498 O ARG A 36 5.382 11.971 7.051 1.00 0.00 O ATOM 499 CB ARG A 36 5.553 13.123 4.373 1.00 0.00 C ATOM 500 CG ARG A 36 6.847 12.455 3.938 1.00 0.00 C ATOM 501 CD ARG A 36 7.561 13.267 2.868 1.00 0.00 C ATOM 502 NE ARG A 36 8.414 14.303 3.445 1.00 0.00 N ATOM 503 CZ ARG A 36 8.853 15.356 2.765 1.00 0.00 C ATOM 504 NH1 ARG A 36 8.522 15.512 1.491 1.00 0.00 N ATOM 505 NH2 ARG A 36 9.626 16.256 3.360 1.00 0.00 N ATOM 0 H ARG A 36 3.284 13.852 4.995 1.00 0.00 H new ATOM 0 HA ARG A 36 4.286 11.422 4.032 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.162 13.713 3.544 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.768 13.817 5.185 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.502 12.332 4.800 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.632 11.457 3.556 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.165 12.602 2.251 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.824 13.729 2.211 1.00 0.00 H new ATOM 0 HE ARG A 36 8.687 14.213 4.424 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.928 14.822 1.030 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.861 16.322 0.972 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.883 16.139 4.340 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.963 17.064 2.837 1.00 0.00 H new ATOM 519 N GLY A 37 4.906 10.046 5.987 1.00 0.00 N ATOM 520 CA GLY A 37 5.343 9.222 7.099 1.00 0.00 C ATOM 521 C GLY A 37 4.207 8.863 8.036 1.00 0.00 C ATOM 522 O GLY A 37 4.400 8.770 9.248 1.00 0.00 O ATOM 0 H GLY A 37 4.564 9.528 5.178 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.795 8.308 6.714 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.117 9.750 7.656 1.00 0.00 H new ATOM 526 N GLU A 38 3.019 8.664 7.475 1.00 0.00 N ATOM 527 CA GLU A 38 1.847 8.316 8.270 1.00 0.00 C ATOM 528 C GLU A 38 1.144 7.090 7.695 1.00 0.00 C ATOM 529 O GLU A 38 1.051 6.927 6.478 1.00 0.00 O ATOM 530 CB GLU A 38 0.874 9.496 8.328 1.00 0.00 C ATOM 531 CG GLU A 38 1.125 10.434 9.496 1.00 0.00 C ATOM 532 CD GLU A 38 0.777 9.808 10.833 1.00 0.00 C ATOM 533 OE1 GLU A 38 -0.344 9.274 10.965 1.00 0.00 O ATOM 534 OE2 GLU A 38 1.627 9.851 11.747 1.00 0.00 O ATOM 0 H GLU A 38 2.842 8.738 6.473 1.00 0.00 H new ATOM 0 HA GLU A 38 2.182 8.081 9.280 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.944 10.060 7.398 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.145 9.113 8.392 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.174 10.730 9.500 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.538 11.342 9.360 1.00 0.00 H new ATOM 541 N PHE A 39 0.650 6.230 8.579 1.00 0.00 N ATOM 542 CA PHE A 39 -0.044 5.017 8.160 1.00 0.00 C ATOM 543 C PHE A 39 -1.506 5.311 7.838 1.00 0.00 C ATOM 544 O PHE A 39 -2.104 6.230 8.399 1.00 0.00 O ATOM 545 CB PHE A 39 0.044 3.950 9.254 1.00 0.00 C ATOM 546 CG PHE A 39 1.422 3.374 9.419 1.00 0.00 C ATOM 547 CD1 PHE A 39 1.919 2.460 8.504 1.00 0.00 C ATOM 548 CD2 PHE A 39 2.219 3.747 10.489 1.00 0.00 C ATOM 549 CE1 PHE A 39 3.185 1.928 8.654 1.00 0.00 C ATOM 550 CE2 PHE A 39 3.487 3.218 10.644 1.00 0.00 C ATOM 551 CZ PHE A 39 3.971 2.308 9.725 1.00 0.00 C ATOM 0 H PHE A 39 0.717 6.350 9.590 1.00 0.00 H new ATOM 0 HA PHE A 39 0.441 4.644 7.258 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.275 4.385 10.201 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.653 3.144 9.022 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.310 2.160 7.664 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.846 4.459 11.210 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.560 1.215 7.934 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.098 3.516 11.483 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.962 1.894 9.843 1.00 0.00 H new ATOM 561 N CYS A 40 -2.075 4.525 6.931 1.00 0.00 N ATOM 562 CA CYS A 40 -3.467 4.701 6.532 1.00 0.00 C ATOM 563 C CYS A 40 -3.903 3.594 5.578 1.00 0.00 C ATOM 564 O CYS A 40 -3.080 2.815 5.098 1.00 0.00 O ATOM 565 CB CYS A 40 -3.661 6.067 5.870 1.00 0.00 C ATOM 566 SG CYS A 40 -2.509 6.402 4.518 1.00 0.00 S ATOM 0 H CYS A 40 -1.594 3.760 6.458 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.085 4.648 7.428 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.680 6.133 5.489 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.552 6.844 6.627 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.670 5.415 4.409 1.00 0.00 H new ATOM 572 N ILE A 41 -5.203 3.530 5.309 1.00 0.00 N ATOM 573 CA ILE A 41 -5.748 2.517 4.414 1.00 0.00 C ATOM 574 C ILE A 41 -6.016 3.096 3.028 1.00 0.00 C ATOM 575 O ILE A 41 -6.573 4.185 2.897 1.00 0.00 O ATOM 576 CB ILE A 41 -7.054 1.919 4.969 1.00 0.00 C ATOM 577 CG1 ILE A 41 -8.113 3.011 5.130 1.00 0.00 C ATOM 578 CG2 ILE A 41 -6.796 1.224 6.298 1.00 0.00 C ATOM 579 CD1 ILE A 41 -9.473 2.481 5.527 1.00 0.00 C ATOM 0 H ILE A 41 -5.898 4.167 5.698 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.000 1.728 4.338 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.427 1.179 4.261 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.776 3.724 5.882 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.205 3.558 4.191 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.729 0.807 6.677 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.071 0.422 6.155 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.403 1.945 7.015 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.173 3.311 5.623 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.831 1.790 4.764 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.396 1.959 6.481 1.00 0.00 H new ATOM 591 N ALA A 42 -5.617 2.358 1.998 1.00 0.00 N ATOM 592 CA ALA A 42 -5.817 2.796 0.622 1.00 0.00 C ATOM 593 C ALA A 42 -6.785 1.874 -0.112 1.00 0.00 C ATOM 594 O ALA A 42 -6.833 0.672 0.149 1.00 0.00 O ATOM 595 CB ALA A 42 -4.485 2.857 -0.112 1.00 0.00 C ATOM 0 H ALA A 42 -5.153 1.454 2.090 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.253 3.795 0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.650 3.185 -1.138 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.823 3.561 0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.027 1.868 -0.117 1.00 0.00 H new ATOM 601 N LYS A 43 -7.557 2.445 -1.031 1.00 0.00 N ATOM 602 CA LYS A 43 -8.524 1.675 -1.804 1.00 0.00 C ATOM 603 C LYS A 43 -7.885 1.111 -3.068 1.00 0.00 C ATOM 604 O LYS A 43 -7.300 1.848 -3.862 1.00 0.00 O ATOM 605 CB LYS A 43 -9.724 2.550 -2.173 1.00 0.00 C ATOM 606 CG LYS A 43 -11.026 1.777 -2.295 1.00 0.00 C ATOM 607 CD LYS A 43 -12.216 2.709 -2.451 1.00 0.00 C ATOM 608 CE LYS A 43 -13.526 1.938 -2.495 1.00 0.00 C ATOM 609 NZ LYS A 43 -13.900 1.559 -3.886 1.00 0.00 N ATOM 0 H LYS A 43 -7.531 3.439 -1.258 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.864 0.842 -1.188 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.842 3.327 -1.418 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.520 3.052 -3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.973 1.107 -3.153 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.164 1.154 -1.411 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.237 3.416 -1.622 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.105 3.292 -3.365 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.439 1.039 -1.885 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.319 2.545 -2.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.354 0.623 -3.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.562 2.263 -4.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.046 1.526 -4.478 1.00 0.00 H new ATOM 623 N PHE A 44 -8.003 -0.200 -3.250 1.00 0.00 N ATOM 624 CA PHE A 44 -7.437 -0.863 -4.419 1.00 0.00 C ATOM 625 C PHE A 44 -8.388 -0.774 -5.609 1.00 0.00 C ATOM 626 O PHE A 44 -9.594 -0.591 -5.442 1.00 0.00 O ATOM 627 CB PHE A 44 -7.133 -2.329 -4.103 1.00 0.00 C ATOM 628 CG PHE A 44 -6.102 -2.937 -5.011 1.00 0.00 C ATOM 629 CD1 PHE A 44 -4.928 -2.261 -5.298 1.00 0.00 C ATOM 630 CD2 PHE A 44 -6.308 -4.185 -5.577 1.00 0.00 C ATOM 631 CE1 PHE A 44 -3.978 -2.818 -6.134 1.00 0.00 C ATOM 632 CE2 PHE A 44 -5.362 -4.748 -6.413 1.00 0.00 C ATOM 633 CZ PHE A 44 -4.195 -4.063 -6.691 1.00 0.00 C ATOM 0 H PHE A 44 -8.485 -0.824 -2.603 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.509 -0.355 -4.680 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.788 -2.406 -3.072 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.055 -2.907 -4.175 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.752 -1.288 -4.864 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.219 -4.724 -5.362 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.067 -2.280 -6.351 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.535 -5.721 -6.848 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.453 -4.500 -7.343 1.00 0.00 H new ATOM 643 N VAL A 45 -7.836 -0.904 -6.811 1.00 0.00 N ATOM 644 CA VAL A 45 -8.634 -0.839 -8.030 1.00 0.00 C ATOM 645 C VAL A 45 -9.894 -1.689 -7.908 1.00 0.00 C ATOM 646 O VAL A 45 -10.947 -1.335 -8.437 1.00 0.00 O ATOM 647 CB VAL A 45 -7.827 -1.309 -9.255 1.00 0.00 C ATOM 648 CG1 VAL A 45 -6.598 -0.435 -9.452 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.434 -2.771 -9.104 1.00 0.00 C ATOM 0 H VAL A 45 -6.839 -1.055 -6.967 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.916 0.205 -8.169 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.455 -1.215 -10.141 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.040 -0.782 -10.322 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.908 0.598 -9.608 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.964 -0.494 -8.567 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.865 -3.087 -9.978 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.823 -2.893 -8.209 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.332 -3.382 -9.016 1.00 0.00 H new ATOM 659 N ASP A 46 -9.777 -2.812 -7.208 1.00 0.00 N ATOM 660 CA ASP A 46 -10.907 -3.713 -7.014 1.00 0.00 C ATOM 661 C ASP A 46 -11.737 -3.293 -5.805 1.00 0.00 C ATOM 662 O ASP A 46 -12.429 -4.110 -5.200 1.00 0.00 O ATOM 663 CB ASP A 46 -10.416 -5.151 -6.837 1.00 0.00 C ATOM 664 CG ASP A 46 -9.475 -5.300 -5.658 1.00 0.00 C ATOM 665 OD1 ASP A 46 -9.485 -4.416 -4.775 1.00 0.00 O ATOM 666 OD2 ASP A 46 -8.729 -6.300 -5.617 1.00 0.00 O ATOM 0 H ASP A 46 -8.911 -3.120 -6.766 1.00 0.00 H new ATOM 0 HA ASP A 46 -11.538 -3.659 -7.901 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.273 -5.810 -6.700 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.909 -5.473 -7.746 1.00 0.00 H new ATOM 671 N GLY A 47 -11.660 -2.012 -5.457 1.00 0.00 N ATOM 672 CA GLY A 47 -12.408 -1.506 -4.321 1.00 0.00 C ATOM 673 C GLY A 47 -12.078 -2.239 -3.037 1.00 0.00 C ATOM 674 O GLY A 47 -12.960 -2.499 -2.219 1.00 0.00 O ATOM 0 H GLY A 47 -11.093 -1.316 -5.941 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.196 -0.444 -4.194 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.475 -1.596 -4.523 1.00 0.00 H new ATOM 678 N GLU A 48 -10.804 -2.576 -2.860 1.00 0.00 N ATOM 679 CA GLU A 48 -10.361 -3.287 -1.666 1.00 0.00 C ATOM 680 C GLU A 48 -9.408 -2.425 -0.842 1.00 0.00 C ATOM 681 O GLU A 48 -8.363 -1.996 -1.330 1.00 0.00 O ATOM 682 CB GLU A 48 -9.675 -4.599 -2.052 1.00 0.00 C ATOM 683 CG GLU A 48 -10.594 -5.582 -2.757 1.00 0.00 C ATOM 684 CD GLU A 48 -11.517 -6.309 -1.798 1.00 0.00 C ATOM 685 OE1 GLU A 48 -11.733 -5.798 -0.679 1.00 0.00 O ATOM 686 OE2 GLU A 48 -12.023 -7.389 -2.167 1.00 0.00 O ATOM 0 H GLU A 48 -10.061 -2.368 -3.528 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.239 -3.509 -1.060 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.827 -4.379 -2.700 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.276 -5.069 -1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.192 -5.049 -3.496 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.992 -6.311 -3.299 1.00 0.00 H new ATOM 693 N TRP A 49 -9.778 -2.176 0.409 1.00 0.00 N ATOM 694 CA TRP A 49 -8.957 -1.366 1.302 1.00 0.00 C ATOM 695 C TRP A 49 -7.769 -2.165 1.824 1.00 0.00 C ATOM 696 O TRP A 49 -7.908 -3.329 2.199 1.00 0.00 O ATOM 697 CB TRP A 49 -9.796 -0.851 2.473 1.00 0.00 C ATOM 698 CG TRP A 49 -10.775 0.214 2.080 1.00 0.00 C ATOM 699 CD1 TRP A 49 -12.078 0.035 1.714 1.00 0.00 C ATOM 700 CD2 TRP A 49 -10.526 1.623 2.012 1.00 0.00 C ATOM 701 NE1 TRP A 49 -12.655 1.248 1.423 1.00 0.00 N ATOM 702 CE2 TRP A 49 -11.725 2.237 1.599 1.00 0.00 C ATOM 703 CE3 TRP A 49 -9.410 2.425 2.263 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -11.834 3.615 1.430 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -9.520 3.792 2.094 1.00 0.00 C ATOM 706 CH2 TRP A 49 -10.725 4.376 1.682 1.00 0.00 C ATOM 0 H TRP A 49 -10.641 -2.523 0.828 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.578 -0.516 0.735 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.338 -1.686 2.917 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -9.131 -0.457 3.242 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.581 -0.919 1.661 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.620 1.389 1.124 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.478 1.984 2.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.761 4.067 1.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.663 4.421 2.283 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.780 5.448 1.561 1.00 0.00 H new ATOM 717 N TYR A 50 -6.601 -1.533 1.846 1.00 0.00 N ATOM 718 CA TYR A 50 -5.387 -2.187 2.321 1.00 0.00 C ATOM 719 C TYR A 50 -4.530 -1.221 3.134 1.00 0.00 C ATOM 720 O TYR A 50 -4.646 -0.004 2.995 1.00 0.00 O ATOM 721 CB TYR A 50 -4.580 -2.731 1.141 1.00 0.00 C ATOM 722 CG TYR A 50 -5.297 -3.814 0.366 1.00 0.00 C ATOM 723 CD1 TYR A 50 -5.460 -5.086 0.900 1.00 0.00 C ATOM 724 CD2 TYR A 50 -5.812 -3.565 -0.901 1.00 0.00 C ATOM 725 CE1 TYR A 50 -6.113 -6.079 0.195 1.00 0.00 C ATOM 726 CE2 TYR A 50 -6.467 -4.550 -1.612 1.00 0.00 C ATOM 727 CZ TYR A 50 -6.615 -5.806 -1.060 1.00 0.00 C ATOM 728 OH TYR A 50 -7.268 -6.791 -1.765 1.00 0.00 O ATOM 0 H TYR A 50 -6.469 -0.569 1.541 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.680 -3.016 2.965 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.341 -1.910 0.465 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.633 -3.126 1.510 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.070 -5.303 1.883 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.698 -2.583 -1.337 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.230 -7.063 0.624 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.862 -4.339 -2.595 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.561 -6.435 -2.630 1.00 0.00 H new ATOM 738 N ARG A 51 -3.671 -1.775 3.983 1.00 0.00 N ATOM 739 CA ARG A 51 -2.794 -0.964 4.820 1.00 0.00 C ATOM 740 C ARG A 51 -1.624 -0.414 4.010 1.00 0.00 C ATOM 741 O ARG A 51 -0.927 -1.161 3.323 1.00 0.00 O ATOM 742 CB ARG A 51 -2.270 -1.790 5.997 1.00 0.00 C ATOM 743 CG ARG A 51 -3.203 -1.801 7.197 1.00 0.00 C ATOM 744 CD ARG A 51 -2.440 -2.020 8.494 1.00 0.00 C ATOM 745 NE ARG A 51 -2.324 -3.437 8.828 1.00 0.00 N ATOM 746 CZ ARG A 51 -1.360 -4.225 8.363 1.00 0.00 C ATOM 747 NH1 ARG A 51 -0.434 -3.736 7.549 1.00 0.00 N ATOM 748 NH2 ARG A 51 -1.321 -5.504 8.713 1.00 0.00 N ATOM 0 H ARG A 51 -3.563 -2.781 4.110 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.374 -0.125 5.203 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.106 -2.815 5.666 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.301 -1.395 6.304 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.744 -0.856 7.247 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.947 -2.588 7.074 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.444 -1.585 8.407 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.946 -1.497 9.305 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.021 -3.844 9.452 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.461 -2.753 7.278 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.305 -4.343 7.194 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.031 -5.883 9.339 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.581 -6.108 8.356 1.00 0.00 H new ATOM 762 N ALA A 52 -1.416 0.895 4.094 1.00 0.00 N ATOM 763 CA ALA A 52 -0.331 1.545 3.370 1.00 0.00 C ATOM 764 C ALA A 52 0.206 2.743 4.145 1.00 0.00 C ATOM 765 O ALA A 52 -0.548 3.454 4.810 1.00 0.00 O ATOM 766 CB ALA A 52 -0.801 1.975 1.989 1.00 0.00 C ATOM 0 H ALA A 52 -1.985 1.527 4.657 1.00 0.00 H new ATOM 0 HA ALA A 52 0.480 0.825 3.258 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.020 2.459 1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.129 1.100 1.428 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.631 2.674 2.089 1.00 0.00 H new ATOM 772 N ARG A 53 1.514 2.962 4.056 1.00 0.00 N ATOM 773 CA ARG A 53 2.152 4.074 4.751 1.00 0.00 C ATOM 774 C ARG A 53 2.526 5.183 3.773 1.00 0.00 C ATOM 775 O ARG A 53 3.291 4.966 2.833 1.00 0.00 O ATOM 776 CB ARG A 53 3.400 3.591 5.492 1.00 0.00 C ATOM 777 CG ARG A 53 4.128 4.694 6.242 1.00 0.00 C ATOM 778 CD ARG A 53 5.248 4.136 7.106 1.00 0.00 C ATOM 779 NE ARG A 53 6.109 3.220 6.362 1.00 0.00 N ATOM 780 CZ ARG A 53 6.937 2.357 6.939 1.00 0.00 C ATOM 781 NH1 ARG A 53 7.015 2.291 8.261 1.00 0.00 N ATOM 782 NH2 ARG A 53 7.688 1.556 6.194 1.00 0.00 N ATOM 0 H ARG A 53 2.153 2.384 3.509 1.00 0.00 H new ATOM 0 HA ARG A 53 1.441 4.475 5.473 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.114 2.811 6.198 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.085 3.137 4.776 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.539 5.410 5.530 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.421 5.238 6.868 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.847 4.958 7.499 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.820 3.616 7.963 1.00 0.00 H new ATOM 0 HE ARG A 53 6.072 3.245 5.343 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.438 2.904 8.837 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.652 1.627 8.702 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.630 1.603 5.177 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.324 0.894 6.639 1.00 0.00 H new ATOM 796 N VAL A 54 1.981 6.374 4.000 1.00 0.00 N ATOM 797 CA VAL A 54 2.257 7.518 3.140 1.00 0.00 C ATOM 798 C VAL A 54 3.756 7.696 2.926 1.00 0.00 C ATOM 799 O VAL A 54 4.522 7.796 3.884 1.00 0.00 O ATOM 800 CB VAL A 54 1.676 8.817 3.730 1.00 0.00 C ATOM 801 CG1 VAL A 54 1.991 10.001 2.828 1.00 0.00 C ATOM 802 CG2 VAL A 54 0.176 8.682 3.942 1.00 0.00 C ATOM 0 H VAL A 54 1.345 6.571 4.773 1.00 0.00 H new ATOM 0 HA VAL A 54 1.778 7.317 2.182 1.00 0.00 H new ATOM 0 HB VAL A 54 2.142 8.995 4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.573 10.910 3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.071 10.109 2.733 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.555 9.834 1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.217 9.609 4.359 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.310 8.479 2.987 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.022 7.861 4.631 1.00 0.00 H new ATOM 812 N GLU A 55 4.168 7.734 1.663 1.00 0.00 N ATOM 813 CA GLU A 55 5.576 7.900 1.324 1.00 0.00 C ATOM 814 C GLU A 55 5.862 9.327 0.865 1.00 0.00 C ATOM 815 O GLU A 55 6.876 9.919 1.235 1.00 0.00 O ATOM 816 CB GLU A 55 5.979 6.911 0.228 1.00 0.00 C ATOM 817 CG GLU A 55 5.773 5.456 0.615 1.00 0.00 C ATOM 818 CD GLU A 55 6.475 4.496 -0.326 1.00 0.00 C ATOM 819 OE1 GLU A 55 6.048 4.392 -1.494 1.00 0.00 O ATOM 820 OE2 GLU A 55 7.452 3.850 0.107 1.00 0.00 O ATOM 0 H GLU A 55 3.547 7.652 0.858 1.00 0.00 H new ATOM 0 HA GLU A 55 6.164 7.700 2.220 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.402 7.124 -0.672 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.028 7.067 -0.022 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.140 5.298 1.629 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.706 5.234 0.624 1.00 0.00 H new ATOM 827 N LYS A 56 4.960 9.874 0.058 1.00 0.00 N ATOM 828 CA LYS A 56 5.112 11.232 -0.452 1.00 0.00 C ATOM 829 C LYS A 56 3.762 11.816 -0.856 1.00 0.00 C ATOM 830 O LYS A 56 3.117 11.330 -1.785 1.00 0.00 O ATOM 831 CB LYS A 56 6.064 11.245 -1.650 1.00 0.00 C ATOM 832 CG LYS A 56 5.761 12.342 -2.656 1.00 0.00 C ATOM 833 CD LYS A 56 6.884 12.497 -3.668 1.00 0.00 C ATOM 834 CE LYS A 56 6.564 13.573 -4.694 1.00 0.00 C ATOM 835 NZ LYS A 56 7.712 13.825 -5.609 1.00 0.00 N ATOM 0 H LYS A 56 4.115 9.398 -0.258 1.00 0.00 H new ATOM 0 HA LYS A 56 5.531 11.848 0.344 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.086 11.366 -1.290 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.015 10.279 -2.153 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.831 12.113 -3.176 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.610 13.286 -2.132 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.809 12.750 -3.150 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.052 11.547 -4.175 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.694 13.272 -5.277 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.299 14.497 -4.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.455 14.565 -6.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.535 14.137 -5.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.949 12.950 -6.118 1.00 0.00 H new ATOM 849 N VAL A 57 3.341 12.863 -0.152 1.00 0.00 N ATOM 850 CA VAL A 57 2.069 13.515 -0.439 1.00 0.00 C ATOM 851 C VAL A 57 2.252 14.670 -1.418 1.00 0.00 C ATOM 852 O VAL A 57 2.799 15.714 -1.065 1.00 0.00 O ATOM 853 CB VAL A 57 1.408 14.046 0.846 1.00 0.00 C ATOM 854 CG1 VAL A 57 0.011 14.570 0.551 1.00 0.00 C ATOM 855 CG2 VAL A 57 1.365 12.960 1.910 1.00 0.00 C ATOM 0 H VAL A 57 3.862 13.277 0.621 1.00 0.00 H new ATOM 0 HA VAL A 57 1.421 12.762 -0.887 1.00 0.00 H new ATOM 0 HB VAL A 57 2.007 14.873 1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.440 14.941 1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.072 15.380 -0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.602 13.765 0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.895 13.352 2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.790 12.111 1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.380 12.637 2.141 1.00 0.00 H new ATOM 865 N GLU A 58 1.790 14.474 -2.649 1.00 0.00 N ATOM 866 CA GLU A 58 1.903 15.500 -3.679 1.00 0.00 C ATOM 867 C GLU A 58 0.715 16.456 -3.628 1.00 0.00 C ATOM 868 O GLU A 58 0.872 17.645 -3.353 1.00 0.00 O ATOM 869 CB GLU A 58 1.995 14.856 -5.064 1.00 0.00 C ATOM 870 CG GLU A 58 3.408 14.458 -5.458 1.00 0.00 C ATOM 871 CD GLU A 58 4.326 15.654 -5.621 1.00 0.00 C ATOM 872 OE1 GLU A 58 4.898 16.106 -4.608 1.00 0.00 O ATOM 873 OE2 GLU A 58 4.473 16.136 -6.764 1.00 0.00 O ATOM 0 H GLU A 58 1.334 13.615 -2.957 1.00 0.00 H new ATOM 0 HA GLU A 58 2.813 16.069 -3.490 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.358 13.972 -5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.602 15.552 -5.806 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.818 13.790 -4.700 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.377 13.898 -6.393 1.00 0.00 H new ATOM 880 N SER A 59 -0.475 15.926 -3.896 1.00 0.00 N ATOM 881 CA SER A 59 -1.690 16.732 -3.885 1.00 0.00 C ATOM 882 C SER A 59 -2.895 15.892 -3.471 1.00 0.00 C ATOM 883 O SER A 59 -2.873 14.662 -3.518 1.00 0.00 O ATOM 884 CB SER A 59 -1.933 17.345 -5.266 1.00 0.00 C ATOM 885 OG SER A 59 -0.710 17.573 -5.944 1.00 0.00 O ATOM 0 H SER A 59 -0.623 14.943 -4.123 1.00 0.00 H new ATOM 0 HA SER A 59 -1.559 17.533 -3.157 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.562 16.680 -5.857 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.475 18.285 -5.160 1.00 0.00 H new ATOM 0 HG SER A 59 -0.892 17.963 -6.824 1.00 0.00 H new ATOM 891 N PRO A 60 -3.973 16.572 -3.054 1.00 0.00 N ATOM 892 CA PRO A 60 -5.208 15.910 -2.623 1.00 0.00 C ATOM 893 C PRO A 60 -5.665 14.838 -3.606 1.00 0.00 C ATOM 894 O PRO A 60 -6.473 13.974 -3.266 1.00 0.00 O ATOM 895 CB PRO A 60 -6.224 17.054 -2.569 1.00 0.00 C ATOM 896 CG PRO A 60 -5.405 18.277 -2.334 1.00 0.00 C ATOM 897 CD PRO A 60 -4.070 18.039 -2.971 1.00 0.00 C ATOM 0 HA PRO A 60 -5.081 15.389 -1.674 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.787 17.127 -3.499 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.948 16.903 -1.769 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.888 19.153 -2.766 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.294 18.468 -1.267 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -4.010 18.500 -3.957 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.261 18.460 -2.373 1.00 0.00 H new ATOM 905 N ALA A 61 -5.143 14.901 -4.827 1.00 0.00 N ATOM 906 CA ALA A 61 -5.496 13.934 -5.859 1.00 0.00 C ATOM 907 C ALA A 61 -4.372 12.927 -6.076 1.00 0.00 C ATOM 908 O ALA A 61 -4.595 11.833 -6.595 1.00 0.00 O ATOM 909 CB ALA A 61 -5.826 14.649 -7.161 1.00 0.00 C ATOM 0 H ALA A 61 -4.475 15.611 -5.125 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.377 13.387 -5.524 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.088 13.915 -7.923 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.667 15.323 -7.003 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.959 15.222 -7.491 1.00 0.00 H new ATOM 915 N LYS A 62 -3.162 13.304 -5.676 1.00 0.00 N ATOM 916 CA LYS A 62 -2.001 12.434 -5.826 1.00 0.00 C ATOM 917 C LYS A 62 -1.296 12.233 -4.488 1.00 0.00 C ATOM 918 O LYS A 62 -0.736 13.173 -3.923 1.00 0.00 O ATOM 919 CB LYS A 62 -1.024 13.024 -6.845 1.00 0.00 C ATOM 920 CG LYS A 62 -1.568 13.053 -8.263 1.00 0.00 C ATOM 921 CD LYS A 62 -0.457 12.917 -9.290 1.00 0.00 C ATOM 922 CE LYS A 62 -0.975 12.340 -10.599 1.00 0.00 C ATOM 923 NZ LYS A 62 0.049 12.407 -11.678 1.00 0.00 N ATOM 0 H LYS A 62 -2.960 14.206 -5.245 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.348 11.465 -6.184 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.766 14.039 -6.543 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.102 12.443 -6.830 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.287 12.244 -8.394 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.105 13.987 -8.428 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.009 13.893 -9.474 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.329 12.274 -8.894 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.274 11.303 -10.446 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.866 12.886 -10.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.342 12.004 -12.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.316 13.399 -11.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.890 11.865 -11.393 1.00 0.00 H new ATOM 937 N ILE A 63 -1.326 11.002 -3.988 1.00 0.00 N ATOM 938 CA ILE A 63 -0.688 10.678 -2.718 1.00 0.00 C ATOM 939 C ILE A 63 0.139 9.401 -2.829 1.00 0.00 C ATOM 940 O ILE A 63 -0.406 8.305 -2.960 1.00 0.00 O ATOM 941 CB ILE A 63 -1.726 10.508 -1.593 1.00 0.00 C ATOM 942 CG1 ILE A 63 -2.850 11.534 -1.748 1.00 0.00 C ATOM 943 CG2 ILE A 63 -1.059 10.645 -0.233 1.00 0.00 C ATOM 944 CD1 ILE A 63 -2.463 12.926 -1.299 1.00 0.00 C ATOM 0 H ILE A 63 -1.785 10.213 -4.443 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.032 11.513 -2.472 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.159 9.510 -1.664 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.156 11.570 -2.793 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.715 11.203 -1.173 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.805 10.523 0.552 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.290 9.879 -0.126 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.603 11.631 -0.149 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.308 13.601 -1.437 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.185 12.904 -0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.617 13.277 -1.890 1.00 0.00 H new ATOM 956 N HIS A 64 1.459 9.551 -2.773 1.00 0.00 N ATOM 957 CA HIS A 64 2.362 8.409 -2.864 1.00 0.00 C ATOM 958 C HIS A 64 2.318 7.578 -1.585 1.00 0.00 C ATOM 959 O HIS A 64 2.516 8.099 -0.487 1.00 0.00 O ATOM 960 CB HIS A 64 3.791 8.883 -3.130 1.00 0.00 C ATOM 961 CG HIS A 64 3.920 9.744 -4.349 1.00 0.00 C ATOM 962 ND1 HIS A 64 4.701 9.404 -5.433 1.00 0.00 N ATOM 963 CD2 HIS A 64 3.359 10.939 -4.651 1.00 0.00 C ATOM 964 CE1 HIS A 64 4.617 10.352 -6.349 1.00 0.00 C ATOM 965 NE2 HIS A 64 3.808 11.295 -5.899 1.00 0.00 N ATOM 0 H HIS A 64 1.926 10.451 -2.665 1.00 0.00 H new ATOM 0 HA HIS A 64 2.034 7.783 -3.694 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.148 9.439 -2.263 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.439 8.013 -3.239 1.00 0.00 H new ATOM 0 HD1 HIS A 64 5.257 8.553 -5.515 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.684 11.506 -4.027 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.123 10.356 -7.303 1.00 0.00 H new ATOM 973 N VAL A 65 2.058 6.283 -1.735 1.00 0.00 N ATOM 974 CA VAL A 65 1.989 5.380 -0.592 1.00 0.00 C ATOM 975 C VAL A 65 2.598 4.024 -0.927 1.00 0.00 C ATOM 976 O VAL A 65 2.908 3.738 -2.083 1.00 0.00 O ATOM 977 CB VAL A 65 0.535 5.177 -0.125 1.00 0.00 C ATOM 978 CG1 VAL A 65 0.051 6.389 0.656 1.00 0.00 C ATOM 979 CG2 VAL A 65 -0.373 4.901 -1.314 1.00 0.00 C ATOM 0 H VAL A 65 1.892 5.836 -2.637 1.00 0.00 H new ATOM 0 HA VAL A 65 2.560 5.843 0.213 1.00 0.00 H new ATOM 0 HB VAL A 65 0.502 4.311 0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.978 6.227 0.978 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.686 6.536 1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.098 7.274 0.021 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.396 4.760 -0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.337 5.745 -2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.037 4.000 -1.827 1.00 0.00 H new ATOM 989 N PHE A 66 2.767 3.189 0.094 1.00 0.00 N ATOM 990 CA PHE A 66 3.340 1.861 -0.091 1.00 0.00 C ATOM 991 C PHE A 66 2.577 0.822 0.725 1.00 0.00 C ATOM 992 O PHE A 66 2.509 0.906 1.951 1.00 0.00 O ATOM 993 CB PHE A 66 4.816 1.859 0.312 1.00 0.00 C ATOM 994 CG PHE A 66 5.355 0.488 0.606 1.00 0.00 C ATOM 995 CD1 PHE A 66 5.269 -0.046 1.881 1.00 0.00 C ATOM 996 CD2 PHE A 66 5.949 -0.266 -0.394 1.00 0.00 C ATOM 997 CE1 PHE A 66 5.764 -1.307 2.155 1.00 0.00 C ATOM 998 CE2 PHE A 66 6.445 -1.528 -0.126 1.00 0.00 C ATOM 999 CZ PHE A 66 6.354 -2.049 1.150 1.00 0.00 C ATOM 0 H PHE A 66 2.515 3.409 1.058 1.00 0.00 H new ATOM 0 HA PHE A 66 3.258 1.600 -1.146 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.404 2.308 -0.489 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.945 2.488 1.193 1.00 0.00 H new ATOM 0 HD1 PHE A 66 4.810 0.530 2.671 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.025 0.137 -1.393 1.00 0.00 H new ATOM 0 HE1 PHE A 66 5.690 -1.712 3.153 1.00 0.00 H new ATOM 0 HE2 PHE A 66 6.904 -2.107 -0.914 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.743 -3.034 1.362 1.00 0.00 H new ATOM 1009 N TYR A 67 2.004 -0.158 0.035 1.00 0.00 N ATOM 1010 CA TYR A 67 1.243 -1.213 0.694 1.00 0.00 C ATOM 1011 C TYR A 67 2.147 -2.063 1.582 1.00 0.00 C ATOM 1012 O TYR A 67 2.992 -2.812 1.091 1.00 0.00 O ATOM 1013 CB TYR A 67 0.553 -2.098 -0.345 1.00 0.00 C ATOM 1014 CG TYR A 67 -0.532 -1.387 -1.121 1.00 0.00 C ATOM 1015 CD1 TYR A 67 -0.216 -0.476 -2.122 1.00 0.00 C ATOM 1016 CD2 TYR A 67 -1.875 -1.627 -0.854 1.00 0.00 C ATOM 1017 CE1 TYR A 67 -1.205 0.176 -2.832 1.00 0.00 C ATOM 1018 CE2 TYR A 67 -2.870 -0.981 -1.561 1.00 0.00 C ATOM 1019 CZ TYR A 67 -2.530 -0.080 -2.548 1.00 0.00 C ATOM 1020 OH TYR A 67 -3.518 0.567 -3.255 1.00 0.00 O ATOM 0 H TYR A 67 2.052 -0.244 -0.980 1.00 0.00 H new ATOM 0 HA TYR A 67 0.486 -0.742 1.321 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.300 -2.474 -1.043 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.121 -2.964 0.157 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.821 -0.275 -2.348 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.145 -2.331 -0.080 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.942 0.883 -3.605 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.909 -1.180 -1.342 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.396 0.274 -2.933 1.00 0.00 H new ATOM 1030 N ILE A 68 1.961 -1.941 2.892 1.00 0.00 N ATOM 1031 CA ILE A 68 2.757 -2.699 3.850 1.00 0.00 C ATOM 1032 C ILE A 68 2.194 -4.103 4.045 1.00 0.00 C ATOM 1033 O ILE A 68 2.471 -4.760 5.048 1.00 0.00 O ATOM 1034 CB ILE A 68 2.820 -1.989 5.216 1.00 0.00 C ATOM 1035 CG1 ILE A 68 1.497 -2.159 5.965 1.00 0.00 C ATOM 1036 CG2 ILE A 68 3.145 -0.514 5.032 1.00 0.00 C ATOM 1037 CD1 ILE A 68 1.530 -1.624 7.379 1.00 0.00 C ATOM 0 H ILE A 68 1.266 -1.325 3.314 1.00 0.00 H new ATOM 0 HA ILE A 68 3.764 -2.768 3.438 1.00 0.00 H new ATOM 0 HB ILE A 68 3.613 -2.444 5.809 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.708 -1.651 5.411 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.237 -3.217 5.992 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.186 -0.026 6.006 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.110 -0.413 4.535 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.372 -0.044 4.423 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.559 -1.778 7.849 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.297 -2.149 7.949 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.758 -0.558 7.360 1.00 0.00 H new ATOM 1049 N ASP A 69 1.404 -4.556 3.078 1.00 0.00 N ATOM 1050 CA ASP A 69 0.804 -5.884 3.141 1.00 0.00 C ATOM 1051 C ASP A 69 1.321 -6.768 2.010 1.00 0.00 C ATOM 1052 O ASP A 69 1.571 -7.958 2.204 1.00 0.00 O ATOM 1053 CB ASP A 69 -0.720 -5.782 3.068 1.00 0.00 C ATOM 1054 CG ASP A 69 -1.302 -4.982 4.217 1.00 0.00 C ATOM 1055 OD1 ASP A 69 -0.569 -4.150 4.791 1.00 0.00 O ATOM 1056 OD2 ASP A 69 -2.490 -5.188 4.543 1.00 0.00 O ATOM 0 H ASP A 69 1.164 -4.024 2.242 1.00 0.00 H new ATOM 0 HA ASP A 69 1.085 -6.338 4.091 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.005 -5.317 2.124 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.149 -6.784 3.073 1.00 0.00 H new ATOM 1061 N TYR A 70 1.478 -6.179 0.830 1.00 0.00 N ATOM 1062 CA TYR A 70 1.962 -6.914 -0.332 1.00 0.00 C ATOM 1063 C TYR A 70 3.388 -6.501 -0.684 1.00 0.00 C ATOM 1064 O TYR A 70 4.229 -7.340 -1.002 1.00 0.00 O ATOM 1065 CB TYR A 70 1.041 -6.678 -1.531 1.00 0.00 C ATOM 1066 CG TYR A 70 -0.394 -7.087 -1.282 1.00 0.00 C ATOM 1067 CD1 TYR A 70 -1.181 -6.405 -0.362 1.00 0.00 C ATOM 1068 CD2 TYR A 70 -0.961 -8.154 -1.966 1.00 0.00 C ATOM 1069 CE1 TYR A 70 -2.492 -6.775 -0.131 1.00 0.00 C ATOM 1070 CE2 TYR A 70 -2.272 -8.531 -1.742 1.00 0.00 C ATOM 1071 CZ TYR A 70 -3.032 -7.839 -0.824 1.00 0.00 C ATOM 1072 OH TYR A 70 -4.338 -8.210 -0.597 1.00 0.00 O ATOM 0 H TYR A 70 1.277 -5.195 0.653 1.00 0.00 H new ATOM 0 HA TYR A 70 1.961 -7.975 -0.084 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.068 -5.621 -1.797 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.425 -7.232 -2.388 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.761 -5.572 0.182 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.368 -8.699 -2.685 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.090 -6.235 0.588 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.698 -9.363 -2.283 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.929 -7.448 -0.772 1.00 0.00 H new ATOM 1082 N GLY A 71 3.652 -5.199 -0.622 1.00 0.00 N ATOM 1083 CA GLY A 71 4.976 -4.695 -0.936 1.00 0.00 C ATOM 1084 C GLY A 71 5.023 -3.979 -2.271 1.00 0.00 C ATOM 1085 O GLY A 71 5.933 -4.199 -3.069 1.00 0.00 O ATOM 0 H GLY A 71 2.973 -4.485 -0.360 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.297 -4.012 -0.150 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.684 -5.524 -0.947 1.00 0.00 H new ATOM 1089 N ASN A 72 4.038 -3.121 -2.516 1.00 0.00 N ATOM 1090 CA ASN A 72 3.970 -2.372 -3.766 1.00 0.00 C ATOM 1091 C ASN A 72 3.626 -0.909 -3.505 1.00 0.00 C ATOM 1092 O ASN A 72 3.000 -0.578 -2.498 1.00 0.00 O ATOM 1093 CB ASN A 72 2.929 -2.993 -4.700 1.00 0.00 C ATOM 1094 CG ASN A 72 1.509 -2.736 -4.236 1.00 0.00 C ATOM 1095 OD1 ASN A 72 0.994 -3.433 -3.361 1.00 0.00 O ATOM 1096 ND2 ASN A 72 0.868 -1.731 -4.822 1.00 0.00 N ATOM 0 H ASN A 72 3.276 -2.927 -1.866 1.00 0.00 H new ATOM 0 HA ASN A 72 4.949 -2.417 -4.242 1.00 0.00 H new ATOM 0 HB2 ASN A 72 3.059 -2.589 -5.704 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.098 -4.068 -4.765 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.090 -1.510 -4.551 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.334 -1.180 -5.543 1.00 0.00 H new ATOM 1103 N ARG A 73 4.041 -0.038 -4.419 1.00 0.00 N ATOM 1104 CA ARG A 73 3.778 1.390 -4.288 1.00 0.00 C ATOM 1105 C ARG A 73 2.785 1.860 -5.346 1.00 0.00 C ATOM 1106 O ARG A 73 2.801 1.383 -6.480 1.00 0.00 O ATOM 1107 CB ARG A 73 5.081 2.183 -4.408 1.00 0.00 C ATOM 1108 CG ARG A 73 6.148 1.757 -3.413 1.00 0.00 C ATOM 1109 CD ARG A 73 7.534 2.192 -3.862 1.00 0.00 C ATOM 1110 NE ARG A 73 8.516 2.087 -2.786 1.00 0.00 N ATOM 1111 CZ ARG A 73 9.829 2.135 -2.982 1.00 0.00 C ATOM 1112 NH1 ARG A 73 10.315 2.285 -4.207 1.00 0.00 N ATOM 1113 NH2 ARG A 73 10.659 2.032 -1.952 1.00 0.00 N ATOM 0 H ARG A 73 4.561 -0.296 -5.258 1.00 0.00 H new ATOM 0 HA ARG A 73 3.343 1.565 -3.304 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.473 2.070 -5.419 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.866 3.242 -4.266 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.929 2.188 -2.436 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.126 0.674 -3.296 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.852 1.577 -4.704 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.494 3.222 -4.217 1.00 0.00 H new ATOM 0 HE ARG A 73 8.175 1.970 -1.832 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.680 2.364 -5.001 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.324 2.322 -4.355 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.289 1.916 -1.009 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.667 2.069 -2.104 1.00 0.00 H new ATOM 1127 N GLU A 74 1.921 2.796 -4.966 1.00 0.00 N ATOM 1128 CA GLU A 74 0.920 3.328 -5.883 1.00 0.00 C ATOM 1129 C GLU A 74 0.495 4.734 -5.468 1.00 0.00 C ATOM 1130 O GLU A 74 0.277 5.006 -4.287 1.00 0.00 O ATOM 1131 CB GLU A 74 -0.301 2.407 -5.930 1.00 0.00 C ATOM 1132 CG GLU A 74 -1.364 2.855 -6.920 1.00 0.00 C ATOM 1133 CD GLU A 74 -0.999 2.528 -8.355 1.00 0.00 C ATOM 1134 OE1 GLU A 74 0.209 2.457 -8.659 1.00 0.00 O ATOM 1135 OE2 GLU A 74 -1.924 2.342 -9.173 1.00 0.00 O ATOM 0 H GLU A 74 1.894 3.201 -4.030 1.00 0.00 H new ATOM 0 HA GLU A 74 1.365 3.380 -6.877 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.024 1.400 -6.190 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.743 2.352 -4.935 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.311 2.376 -6.672 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.515 3.930 -6.823 1.00 0.00 H new ATOM 1142 N VAL A 75 0.379 5.624 -6.449 1.00 0.00 N ATOM 1143 CA VAL A 75 -0.020 7.002 -6.187 1.00 0.00 C ATOM 1144 C VAL A 75 -1.534 7.161 -6.270 1.00 0.00 C ATOM 1145 O VAL A 75 -2.103 7.235 -7.360 1.00 0.00 O ATOM 1146 CB VAL A 75 0.643 7.976 -7.179 1.00 0.00 C ATOM 1147 CG1 VAL A 75 0.166 9.399 -6.929 1.00 0.00 C ATOM 1148 CG2 VAL A 75 2.158 7.888 -7.080 1.00 0.00 C ATOM 0 H VAL A 75 0.556 5.415 -7.432 1.00 0.00 H new ATOM 0 HA VAL A 75 0.312 7.242 -5.177 1.00 0.00 H new ATOM 0 HB VAL A 75 0.351 7.692 -8.190 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.645 10.073 -7.639 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.916 9.448 -7.055 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.427 9.697 -5.913 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.610 8.583 -7.788 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.472 8.145 -6.068 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.479 6.873 -7.313 1.00 0.00 H new ATOM 1158 N LEU A 76 -2.182 7.213 -5.112 1.00 0.00 N ATOM 1159 CA LEU A 76 -3.632 7.364 -5.052 1.00 0.00 C ATOM 1160 C LEU A 76 -4.016 8.664 -4.354 1.00 0.00 C ATOM 1161 O LEU A 76 -3.284 9.184 -3.511 1.00 0.00 O ATOM 1162 CB LEU A 76 -4.259 6.174 -4.322 1.00 0.00 C ATOM 1163 CG LEU A 76 -3.755 4.791 -4.736 1.00 0.00 C ATOM 1164 CD1 LEU A 76 -3.879 3.810 -3.581 1.00 0.00 C ATOM 1165 CD2 LEU A 76 -4.519 4.287 -5.951 1.00 0.00 C ATOM 0 H LEU A 76 -1.727 7.153 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.012 7.396 -6.073 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.085 6.297 -3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.338 6.207 -4.476 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.702 4.874 -5.003 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.516 2.831 -3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.286 4.164 -2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.924 3.730 -3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.147 3.302 -6.232 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.580 4.220 -5.711 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.378 4.978 -6.782 1.00 0.00 H new ATOM 1177 N PRO A 77 -5.192 9.202 -4.709 1.00 0.00 N ATOM 1178 CA PRO A 77 -5.702 10.447 -4.126 1.00 0.00 C ATOM 1179 C PRO A 77 -6.108 10.279 -2.666 1.00 0.00 C ATOM 1180 O PRO A 77 -6.106 9.169 -2.134 1.00 0.00 O ATOM 1181 CB PRO A 77 -6.925 10.767 -4.988 1.00 0.00 C ATOM 1182 CG PRO A 77 -7.367 9.449 -5.524 1.00 0.00 C ATOM 1183 CD PRO A 77 -6.116 8.636 -5.707 1.00 0.00 C ATOM 0 HA PRO A 77 -4.948 11.235 -4.122 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.712 11.239 -4.399 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.672 11.457 -5.793 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.054 8.958 -4.835 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.896 9.570 -6.469 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.297 7.576 -5.531 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.721 8.729 -6.719 1.00 0.00 H new ATOM 1191 N SER A 78 -6.456 11.389 -2.022 1.00 0.00 N ATOM 1192 CA SER A 78 -6.862 11.365 -0.621 1.00 0.00 C ATOM 1193 C SER A 78 -8.220 10.688 -0.461 1.00 0.00 C ATOM 1194 O SER A 78 -8.633 10.354 0.650 1.00 0.00 O ATOM 1195 CB SER A 78 -6.918 12.787 -0.060 1.00 0.00 C ATOM 1196 OG SER A 78 -7.858 13.577 -0.767 1.00 0.00 O ATOM 0 H SER A 78 -6.465 12.316 -2.448 1.00 0.00 H new ATOM 0 HA SER A 78 -6.122 10.791 -0.063 1.00 0.00 H new ATOM 0 HB2 SER A 78 -7.187 12.754 0.996 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.931 13.246 -0.124 1.00 0.00 H new ATOM 0 HG SER A 78 -7.497 13.804 -1.649 1.00 0.00 H new ATOM 1202 N THR A 79 -8.911 10.490 -1.579 1.00 0.00 N ATOM 1203 CA THR A 79 -10.223 9.855 -1.564 1.00 0.00 C ATOM 1204 C THR A 79 -10.113 8.374 -1.222 1.00 0.00 C ATOM 1205 O THR A 79 -10.871 7.859 -0.400 1.00 0.00 O ATOM 1206 CB THR A 79 -10.935 10.005 -2.922 1.00 0.00 C ATOM 1207 OG1 THR A 79 -10.191 9.332 -3.943 1.00 0.00 O ATOM 1208 CG2 THR A 79 -11.096 11.473 -3.289 1.00 0.00 C ATOM 0 H THR A 79 -8.584 10.760 -2.507 1.00 0.00 H new ATOM 0 HA THR A 79 -10.810 10.360 -0.796 1.00 0.00 H new ATOM 0 HB THR A 79 -11.925 9.556 -2.839 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.651 9.431 -4.802 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.601 11.554 -4.251 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.688 11.976 -2.525 1.00 0.00 H new ATOM 0 HG23 THR A 79 -10.114 11.942 -3.354 1.00 0.00 H new ATOM 1216 N ARG A 80 -9.164 7.693 -1.857 1.00 0.00 N ATOM 1217 CA ARG A 80 -8.955 6.270 -1.619 1.00 0.00 C ATOM 1218 C ARG A 80 -8.240 6.040 -0.291 1.00 0.00 C ATOM 1219 O ARG A 80 -8.074 4.901 0.147 1.00 0.00 O ATOM 1220 CB ARG A 80 -8.145 5.654 -2.761 1.00 0.00 C ATOM 1221 CG ARG A 80 -8.491 6.221 -4.128 1.00 0.00 C ATOM 1222 CD ARG A 80 -8.322 5.179 -5.223 1.00 0.00 C ATOM 1223 NE ARG A 80 -9.505 4.335 -5.363 1.00 0.00 N ATOM 1224 CZ ARG A 80 -9.532 3.221 -6.085 1.00 0.00 C ATOM 1225 NH1 ARG A 80 -8.445 2.818 -6.729 1.00 0.00 N ATOM 1226 NH2 ARG A 80 -10.647 2.506 -6.165 1.00 0.00 N ATOM 0 H ARG A 80 -8.528 8.104 -2.540 1.00 0.00 H new ATOM 0 HA ARG A 80 -9.931 5.787 -1.574 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -7.084 5.813 -2.569 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -8.309 4.577 -2.772 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.519 6.582 -4.124 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.853 7.079 -4.339 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -8.119 5.678 -6.170 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -7.456 4.555 -4.999 1.00 0.00 H new ATOM 0 HE ARG A 80 -10.358 4.617 -4.879 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.586 3.364 -6.670 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -8.468 1.962 -7.283 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -11.486 2.812 -5.671 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -10.666 1.651 -6.720 1.00 0.00 H new ATOM 1240 N LEU A 81 -7.818 7.127 0.344 1.00 0.00 N ATOM 1241 CA LEU A 81 -7.119 7.044 1.622 1.00 0.00 C ATOM 1242 C LEU A 81 -8.060 7.367 2.778 1.00 0.00 C ATOM 1243 O LEU A 81 -8.848 8.309 2.707 1.00 0.00 O ATOM 1244 CB LEU A 81 -5.927 8.002 1.637 1.00 0.00 C ATOM 1245 CG LEU A 81 -4.913 7.829 0.505 1.00 0.00 C ATOM 1246 CD1 LEU A 81 -3.966 9.018 0.450 1.00 0.00 C ATOM 1247 CD2 LEU A 81 -4.135 6.533 0.678 1.00 0.00 C ATOM 0 H LEU A 81 -7.947 8.077 -0.005 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.758 6.023 1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.307 9.023 1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.405 7.886 2.587 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.457 7.779 -0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.252 8.877 -0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.537 9.930 0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.430 9.100 1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.419 6.427 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.603 6.552 1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.826 5.690 0.666 1.00 0.00 H new ATOM 1259 N GLY A 82 -7.969 6.579 3.846 1.00 0.00 N ATOM 1260 CA GLY A 82 -8.816 6.799 5.004 1.00 0.00 C ATOM 1261 C GLY A 82 -8.082 6.571 6.310 1.00 0.00 C ATOM 1262 O GLY A 82 -6.927 6.146 6.317 1.00 0.00 O ATOM 0 H GLY A 82 -7.324 5.793 3.930 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.201 7.818 4.980 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.677 6.132 4.953 1.00 0.00 H new ATOM 1266 N THR A 83 -8.754 6.856 7.422 1.00 0.00 N ATOM 1267 CA THR A 83 -8.158 6.683 8.740 1.00 0.00 C ATOM 1268 C THR A 83 -8.038 5.206 9.100 1.00 0.00 C ATOM 1269 O THR A 83 -9.042 4.506 9.237 1.00 0.00 O ATOM 1270 CB THR A 83 -8.981 7.399 9.828 1.00 0.00 C ATOM 1271 OG1 THR A 83 -9.364 8.702 9.374 1.00 0.00 O ATOM 1272 CG2 THR A 83 -8.185 7.519 11.118 1.00 0.00 C ATOM 0 H THR A 83 -9.711 7.208 7.435 1.00 0.00 H new ATOM 0 HA THR A 83 -7.163 7.126 8.697 1.00 0.00 H new ATOM 0 HB THR A 83 -9.874 6.807 10.026 1.00 0.00 H new ATOM 0 HG1 THR A 83 -9.888 9.150 10.070 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.787 8.028 11.871 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.921 6.524 11.476 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.276 8.091 10.933 1.00 0.00 H new ATOM 1280 N LEU A 84 -6.804 4.738 9.252 1.00 0.00 N ATOM 1281 CA LEU A 84 -6.552 3.343 9.597 1.00 0.00 C ATOM 1282 C LEU A 84 -6.931 3.064 11.048 1.00 0.00 C ATOM 1283 O LEU A 84 -6.354 3.638 11.971 1.00 0.00 O ATOM 1284 CB LEU A 84 -5.080 2.997 9.366 1.00 0.00 C ATOM 1285 CG LEU A 84 -4.583 1.708 10.020 1.00 0.00 C ATOM 1286 CD1 LEU A 84 -5.370 0.511 9.507 1.00 0.00 C ATOM 1287 CD2 LEU A 84 -3.095 1.519 9.763 1.00 0.00 C ATOM 0 H LEU A 84 -5.962 5.304 9.142 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.170 2.718 8.953 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.909 2.925 8.292 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.471 3.824 9.731 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.739 1.786 11.096 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.002 -0.398 9.984 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.426 0.642 9.742 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.246 0.430 8.427 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.758 0.596 10.236 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.915 1.463 8.689 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.544 2.362 10.179 1.00 0.00 H new ATOM 1299 N SER A 85 -7.901 2.177 11.241 1.00 0.00 N ATOM 1300 CA SER A 85 -8.358 1.822 12.580 1.00 0.00 C ATOM 1301 C SER A 85 -7.249 1.129 13.366 1.00 0.00 C ATOM 1302 O SER A 85 -6.441 0.378 12.819 1.00 0.00 O ATOM 1303 CB SER A 85 -9.586 0.913 12.499 1.00 0.00 C ATOM 1304 OG SER A 85 -9.972 0.463 13.786 1.00 0.00 O ATOM 0 H SER A 85 -8.386 1.690 10.487 1.00 0.00 H new ATOM 0 HA SER A 85 -8.629 2.741 13.100 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.412 1.453 12.036 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.367 0.057 11.861 1.00 0.00 H new ATOM 0 HG SER A 85 -10.760 -0.115 13.708 1.00 0.00 H new ATOM 1310 N PRO A 86 -7.208 1.387 14.682 1.00 0.00 N ATOM 1311 CA PRO A 86 -6.204 0.799 15.573 1.00 0.00 C ATOM 1312 C PRO A 86 -6.413 -0.698 15.773 1.00 0.00 C ATOM 1313 O PRO A 86 -5.508 -1.408 16.211 1.00 0.00 O ATOM 1314 CB PRO A 86 -6.415 1.549 16.890 1.00 0.00 C ATOM 1315 CG PRO A 86 -7.835 1.997 16.847 1.00 0.00 C ATOM 1316 CD PRO A 86 -8.139 2.273 15.401 1.00 0.00 C ATOM 0 HA PRO A 86 -5.196 0.894 15.170 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.230 0.903 17.748 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.735 2.396 16.976 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.498 1.229 17.246 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -7.981 2.891 17.454 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.177 2.047 15.158 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.973 3.320 15.148 1.00 0.00 H new ATOM 1324 N ALA A 87 -7.611 -1.172 15.449 1.00 0.00 N ATOM 1325 CA ALA A 87 -7.938 -2.586 15.591 1.00 0.00 C ATOM 1326 C ALA A 87 -7.359 -3.402 14.440 1.00 0.00 C ATOM 1327 O ALA A 87 -6.936 -4.543 14.626 1.00 0.00 O ATOM 1328 CB ALA A 87 -9.446 -2.774 15.668 1.00 0.00 C ATOM 0 H ALA A 87 -8.372 -0.598 15.086 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.490 -2.946 16.518 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.676 -3.834 15.774 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.837 -2.230 16.528 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.907 -2.392 14.757 1.00 0.00 H new ATOM 1334 N PHE A 88 -7.344 -2.810 13.251 1.00 0.00 N ATOM 1335 CA PHE A 88 -6.819 -3.482 12.068 1.00 0.00 C ATOM 1336 C PHE A 88 -5.416 -2.981 11.735 1.00 0.00 C ATOM 1337 O PHE A 88 -4.712 -3.572 10.917 1.00 0.00 O ATOM 1338 CB PHE A 88 -7.749 -3.261 10.874 1.00 0.00 C ATOM 1339 CG PHE A 88 -9.201 -3.457 11.200 1.00 0.00 C ATOM 1340 CD1 PHE A 88 -9.644 -4.643 11.764 1.00 0.00 C ATOM 1341 CD2 PHE A 88 -10.124 -2.456 10.944 1.00 0.00 C ATOM 1342 CE1 PHE A 88 -10.980 -4.827 12.066 1.00 0.00 C ATOM 1343 CE2 PHE A 88 -11.461 -2.634 11.244 1.00 0.00 C ATOM 1344 CZ PHE A 88 -11.890 -3.821 11.805 1.00 0.00 C ATOM 0 H PHE A 88 -7.690 -1.866 13.081 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.763 -4.549 12.282 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.604 -2.250 10.493 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.469 -3.946 10.074 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.937 -5.433 11.970 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.795 -1.526 10.505 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.312 -5.756 12.505 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.170 -1.845 11.040 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.935 -3.962 12.039 1.00 0.00 H new ATOM 1354 N SER A 89 -5.018 -1.887 12.376 1.00 0.00 N ATOM 1355 CA SER A 89 -3.702 -1.302 12.146 1.00 0.00 C ATOM 1356 C SER A 89 -2.604 -2.344 12.337 1.00 0.00 C ATOM 1357 O SER A 89 -2.646 -3.144 13.272 1.00 0.00 O ATOM 1358 CB SER A 89 -3.472 -0.123 13.092 1.00 0.00 C ATOM 1359 OG SER A 89 -3.588 -0.525 14.446 1.00 0.00 O ATOM 0 H SER A 89 -5.588 -1.388 13.059 1.00 0.00 H new ATOM 0 HA SER A 89 -3.665 -0.945 11.117 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.482 0.299 12.918 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.196 0.664 12.880 1.00 0.00 H new ATOM 0 HG SER A 89 -3.237 0.181 15.028 1.00 0.00 H new ATOM 1365 N THR A 90 -1.620 -2.329 11.442 1.00 0.00 N ATOM 1366 CA THR A 90 -0.511 -3.272 11.510 1.00 0.00 C ATOM 1367 C THR A 90 -0.080 -3.511 12.952 1.00 0.00 C ATOM 1368 O THR A 90 0.473 -4.561 13.279 1.00 0.00 O ATOM 1369 CB THR A 90 0.700 -2.773 10.700 1.00 0.00 C ATOM 1370 OG1 THR A 90 1.773 -3.718 10.791 1.00 0.00 O ATOM 1371 CG2 THR A 90 1.168 -1.417 11.204 1.00 0.00 C ATOM 0 H THR A 90 -1.569 -1.674 10.662 1.00 0.00 H new ATOM 0 HA THR A 90 -0.866 -4.209 11.080 1.00 0.00 H new ATOM 0 HB THR A 90 0.394 -2.669 9.659 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.427 -4.622 10.638 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.024 -1.086 10.616 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.359 -0.693 11.106 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.457 -1.498 12.252 1.00 0.00 H new ATOM 1379 N ARG A 91 -0.337 -2.530 13.812 1.00 0.00 N ATOM 1380 CA ARG A 91 0.026 -2.634 15.220 1.00 0.00 C ATOM 1381 C ARG A 91 -0.268 -4.033 15.756 1.00 0.00 C ATOM 1382 O ARG A 91 0.397 -4.509 16.676 1.00 0.00 O ATOM 1383 CB ARG A 91 -0.734 -1.592 16.043 1.00 0.00 C ATOM 1384 CG ARG A 91 -0.216 -0.175 15.858 1.00 0.00 C ATOM 1385 CD ARG A 91 -0.904 0.798 16.803 1.00 0.00 C ATOM 1386 NE ARG A 91 -0.063 1.953 17.106 1.00 0.00 N ATOM 1387 CZ ARG A 91 0.924 1.931 17.994 1.00 0.00 C ATOM 1388 NH1 ARG A 91 1.195 0.819 18.662 1.00 0.00 N ATOM 1389 NH2 ARG A 91 1.645 3.024 18.214 1.00 0.00 N ATOM 0 H ARG A 91 -0.795 -1.655 13.558 1.00 0.00 H new ATOM 0 HA ARG A 91 1.096 -2.447 15.308 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.788 -1.623 15.769 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.671 -1.858 17.098 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.860 -0.154 16.033 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.378 0.141 14.827 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.839 1.137 16.357 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.161 0.284 17.729 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.244 2.825 16.608 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.645 -0.023 18.495 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.954 0.806 19.343 1.00 0.00 H new ATOM 0 HH21 ARG A 91 1.441 3.881 17.701 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.403 3.006 18.896 1.00 0.00 H new ATOM 1403 N VAL A 92 -1.268 -4.686 15.173 1.00 0.00 N ATOM 1404 CA VAL A 92 -1.650 -6.029 15.590 1.00 0.00 C ATOM 1405 C VAL A 92 -0.973 -7.087 14.726 1.00 0.00 C ATOM 1406 O VAL A 92 -0.560 -8.137 15.219 1.00 0.00 O ATOM 1407 CB VAL A 92 -3.176 -6.226 15.522 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -3.570 -7.565 16.126 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -3.893 -5.083 16.224 1.00 0.00 C ATOM 0 H VAL A 92 -1.828 -4.306 14.410 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.322 -6.144 16.623 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.478 -6.225 14.475 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.652 -7.686 16.069 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.085 -8.370 15.574 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.256 -7.600 17.169 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.970 -5.239 16.166 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.587 -5.049 17.270 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.636 -4.141 15.740 1.00 0.00 H new ATOM 1419 N LEU A 93 -0.862 -6.803 13.433 1.00 0.00 N ATOM 1420 CA LEU A 93 -0.233 -7.729 12.497 1.00 0.00 C ATOM 1421 C LEU A 93 0.958 -7.078 11.803 1.00 0.00 C ATOM 1422 O LEU A 93 0.899 -5.930 11.361 1.00 0.00 O ATOM 1423 CB LEU A 93 -1.249 -8.201 11.456 1.00 0.00 C ATOM 1424 CG LEU A 93 -0.896 -9.487 10.708 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -1.025 -10.692 11.626 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -1.782 -9.651 9.481 1.00 0.00 C ATOM 0 H LEU A 93 -1.199 -5.939 13.009 1.00 0.00 H new ATOM 0 HA LEU A 93 0.126 -8.589 13.062 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.208 -8.345 11.953 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.386 -7.405 10.724 1.00 0.00 H new ATOM 0 HG LEU A 93 0.140 -9.419 10.377 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.770 -11.598 11.076 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.348 -10.579 12.472 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.050 -10.765 11.989 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.517 -10.571 8.961 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.826 -9.697 9.790 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.638 -8.802 8.812 1.00 0.00 H new ATOM 1438 N PRO A 94 2.067 -7.826 11.702 1.00 0.00 N ATOM 1439 CA PRO A 94 3.293 -7.343 11.060 1.00 0.00 C ATOM 1440 C PRO A 94 3.137 -7.195 9.550 1.00 0.00 C ATOM 1441 O PRO A 94 2.491 -8.017 8.900 1.00 0.00 O ATOM 1442 CB PRO A 94 4.318 -8.431 11.387 1.00 0.00 C ATOM 1443 CG PRO A 94 3.507 -9.662 11.604 1.00 0.00 C ATOM 1444 CD PRO A 94 2.208 -9.202 12.206 1.00 0.00 C ATOM 0 HA PRO A 94 3.575 -6.352 11.415 1.00 0.00 H new ATOM 0 HB2 PRO A 94 5.029 -8.564 10.571 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.896 -8.176 12.275 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.337 -10.188 10.664 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.021 -10.356 12.269 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.375 -9.832 11.894 1.00 0.00 H new ATOM 0 HD3 PRO A 94 2.238 -9.230 13.295 1.00 0.00 H new ATOM 1452 N ALA A 95 3.732 -6.143 8.998 1.00 0.00 N ATOM 1453 CA ALA A 95 3.661 -5.889 7.565 1.00 0.00 C ATOM 1454 C ALA A 95 4.249 -7.051 6.772 1.00 0.00 C ATOM 1455 O ALA A 95 5.451 -7.308 6.830 1.00 0.00 O ATOM 1456 CB ALA A 95 4.382 -4.594 7.221 1.00 0.00 C ATOM 0 H ALA A 95 4.269 -5.452 9.522 1.00 0.00 H new ATOM 0 HA ALA A 95 2.611 -5.790 7.291 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.321 -4.418 6.147 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.914 -3.765 7.752 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.428 -4.670 7.517 1.00 0.00 H new ATOM 1462 N GLN A 96 3.394 -7.750 6.033 1.00 0.00 N ATOM 1463 CA GLN A 96 3.830 -8.886 5.230 1.00 0.00 C ATOM 1464 C GLN A 96 4.557 -8.418 3.974 1.00 0.00 C ATOM 1465 O GLN A 96 5.212 -9.207 3.293 1.00 0.00 O ATOM 1466 CB GLN A 96 2.632 -9.756 4.845 1.00 0.00 C ATOM 1467 CG GLN A 96 1.796 -10.201 6.035 1.00 0.00 C ATOM 1468 CD GLN A 96 2.525 -11.190 6.923 1.00 0.00 C ATOM 1469 OE1 GLN A 96 2.939 -12.259 6.473 1.00 0.00 O ATOM 1470 NE2 GLN A 96 2.687 -10.838 8.193 1.00 0.00 N ATOM 0 H GLN A 96 2.396 -7.550 5.974 1.00 0.00 H new ATOM 0 HA GLN A 96 4.522 -9.477 5.830 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.998 -9.201 4.153 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.990 -10.637 4.313 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.516 -9.328 6.624 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.872 -10.654 5.676 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.328 -9.942 8.524 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.171 -11.463 8.838 1.00 0.00 H new ATOM 1479 N ALA A 97 4.437 -7.129 3.673 1.00 0.00 N ATOM 1480 CA ALA A 97 5.084 -6.555 2.500 1.00 0.00 C ATOM 1481 C ALA A 97 6.586 -6.822 2.515 1.00 0.00 C ATOM 1482 O ALA A 97 7.234 -6.723 3.558 1.00 0.00 O ATOM 1483 CB ALA A 97 4.813 -5.060 2.425 1.00 0.00 C ATOM 0 H ALA A 97 3.898 -6.463 4.226 1.00 0.00 H new ATOM 0 HA ALA A 97 4.665 -7.034 1.615 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.303 -4.645 1.544 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.739 -4.888 2.358 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.203 -4.574 3.319 1.00 0.00 H new ATOM 1489 N THR A 98 7.135 -7.161 1.353 1.00 0.00 N ATOM 1490 CA THR A 98 8.559 -7.443 1.234 1.00 0.00 C ATOM 1491 C THR A 98 9.380 -6.160 1.279 1.00 0.00 C ATOM 1492 O THR A 98 10.305 -6.032 2.080 1.00 0.00 O ATOM 1493 CB THR A 98 8.875 -8.196 -0.073 1.00 0.00 C ATOM 1494 OG1 THR A 98 8.532 -9.579 0.064 1.00 0.00 O ATOM 1495 CG2 THR A 98 10.349 -8.066 -0.429 1.00 0.00 C ATOM 0 H THR A 98 6.614 -7.247 0.480 1.00 0.00 H new ATOM 0 HA THR A 98 8.828 -8.073 2.082 1.00 0.00 H new ATOM 0 HB THR A 98 8.284 -7.753 -0.874 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.734 -10.050 -0.771 1.00 0.00 H new ATOM 0 HG21 THR A 98 10.549 -8.605 -1.355 1.00 0.00 H new ATOM 0 HG22 THR A 98 10.600 -7.014 -0.561 1.00 0.00 H new ATOM 0 HG23 THR A 98 10.956 -8.486 0.373 1.00 0.00 H new ATOM 1503 N GLU A 99 9.034 -5.211 0.414 1.00 0.00 N ATOM 1504 CA GLU A 99 9.741 -3.937 0.357 1.00 0.00 C ATOM 1505 C GLU A 99 9.210 -2.972 1.413 1.00 0.00 C ATOM 1506 O GLU A 99 9.125 -1.766 1.181 1.00 0.00 O ATOM 1507 CB GLU A 99 9.603 -3.314 -1.034 1.00 0.00 C ATOM 1508 CG GLU A 99 10.218 -4.154 -2.141 1.00 0.00 C ATOM 1509 CD GLU A 99 10.395 -3.379 -3.432 1.00 0.00 C ATOM 1510 OE1 GLU A 99 11.393 -2.637 -3.546 1.00 0.00 O ATOM 1511 OE2 GLU A 99 9.536 -3.514 -4.328 1.00 0.00 O ATOM 0 H GLU A 99 8.270 -5.300 -0.256 1.00 0.00 H new ATOM 0 HA GLU A 99 10.795 -4.126 0.560 1.00 0.00 H new ATOM 0 HB2 GLU A 99 8.546 -3.160 -1.251 1.00 0.00 H new ATOM 0 HB3 GLU A 99 10.074 -2.331 -1.031 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.187 -4.529 -1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 99 9.586 -5.022 -2.327 1.00 0.00 H new ATOM 1518 N TYR A 100 8.853 -3.512 2.573 1.00 0.00 N ATOM 1519 CA TYR A 100 8.327 -2.700 3.664 1.00 0.00 C ATOM 1520 C TYR A 100 9.459 -2.134 4.516 1.00 0.00 C ATOM 1521 O TYR A 100 9.400 -0.989 4.964 1.00 0.00 O ATOM 1522 CB TYR A 100 7.384 -3.531 4.536 1.00 0.00 C ATOM 1523 CG TYR A 100 7.130 -2.927 5.899 1.00 0.00 C ATOM 1524 CD1 TYR A 100 6.445 -1.725 6.032 1.00 0.00 C ATOM 1525 CD2 TYR A 100 7.575 -3.559 7.054 1.00 0.00 C ATOM 1526 CE1 TYR A 100 6.212 -1.170 7.275 1.00 0.00 C ATOM 1527 CE2 TYR A 100 7.345 -3.011 8.301 1.00 0.00 C ATOM 1528 CZ TYR A 100 6.664 -1.817 8.406 1.00 0.00 C ATOM 1529 OH TYR A 100 6.433 -1.267 9.647 1.00 0.00 O ATOM 0 H TYR A 100 8.918 -4.508 2.782 1.00 0.00 H new ATOM 0 HA TYR A 100 7.772 -1.868 3.230 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.433 -3.649 4.017 1.00 0.00 H new ATOM 0 HB3 TYR A 100 7.804 -4.529 4.663 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.089 -1.216 5.148 1.00 0.00 H new ATOM 0 HD2 TYR A 100 8.110 -4.494 6.975 1.00 0.00 H new ATOM 0 HE1 TYR A 100 5.679 -0.235 7.361 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.697 -3.515 9.189 1.00 0.00 H new ATOM 0 HH TYR A 100 6.815 -1.847 10.338 1.00 0.00 H new ATOM 1539 N ALA A 101 10.489 -2.944 4.734 1.00 0.00 N ATOM 1540 CA ALA A 101 11.636 -2.524 5.529 1.00 0.00 C ATOM 1541 C ALA A 101 12.447 -1.457 4.802 1.00 0.00 C ATOM 1542 O ALA A 101 12.557 -0.322 5.268 1.00 0.00 O ATOM 1543 CB ALA A 101 12.514 -3.721 5.862 1.00 0.00 C ATOM 0 H ALA A 101 10.553 -3.895 4.371 1.00 0.00 H new ATOM 0 HA ALA A 101 11.264 -2.091 6.457 1.00 0.00 H new ATOM 0 HB1 ALA A 101 13.367 -3.393 6.456 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.936 -4.450 6.430 1.00 0.00 H new ATOM 0 HB3 ALA A 101 12.870 -4.179 4.939 1.00 0.00 H new ATOM 1549 N PHE A 102 13.014 -1.827 3.659 1.00 0.00 N ATOM 1550 CA PHE A 102 13.816 -0.901 2.868 1.00 0.00 C ATOM 1551 C PHE A 102 12.996 0.319 2.461 1.00 0.00 C ATOM 1552 O PHE A 102 13.542 1.395 2.219 1.00 0.00 O ATOM 1553 CB PHE A 102 14.362 -1.601 1.622 1.00 0.00 C ATOM 1554 CG PHE A 102 15.063 -2.896 1.921 1.00 0.00 C ATOM 1555 CD1 PHE A 102 16.152 -2.928 2.778 1.00 0.00 C ATOM 1556 CD2 PHE A 102 14.634 -4.080 1.344 1.00 0.00 C ATOM 1557 CE1 PHE A 102 16.799 -4.117 3.055 1.00 0.00 C ATOM 1558 CE2 PHE A 102 15.277 -5.273 1.618 1.00 0.00 C ATOM 1559 CZ PHE A 102 16.362 -5.291 2.473 1.00 0.00 C ATOM 0 H PHE A 102 12.933 -2.762 3.259 1.00 0.00 H new ATOM 0 HA PHE A 102 14.651 -0.567 3.484 1.00 0.00 H new ATOM 0 HB2 PHE A 102 13.540 -1.793 0.933 1.00 0.00 H new ATOM 0 HB3 PHE A 102 15.055 -0.931 1.113 1.00 0.00 H new ATOM 0 HD1 PHE A 102 16.499 -2.013 3.235 1.00 0.00 H new ATOM 0 HD2 PHE A 102 13.788 -4.071 0.673 1.00 0.00 H new ATOM 0 HE1 PHE A 102 17.645 -4.128 3.726 1.00 0.00 H new ATOM 0 HE2 PHE A 102 14.931 -6.190 1.164 1.00 0.00 H new ATOM 0 HZ PHE A 102 16.868 -6.221 2.686 1.00 0.00 H new ATOM 1569 N ALA A 103 11.680 0.143 2.387 1.00 0.00 N ATOM 1570 CA ALA A 103 10.784 1.228 2.011 1.00 0.00 C ATOM 1571 C ALA A 103 10.955 2.428 2.937 1.00 0.00 C ATOM 1572 O ALA A 103 10.805 3.576 2.517 1.00 0.00 O ATOM 1573 CB ALA A 103 9.340 0.750 2.027 1.00 0.00 C ATOM 0 H ALA A 103 11.212 -0.742 2.583 1.00 0.00 H new ATOM 0 HA ALA A 103 11.040 1.543 0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.682 1.571 1.744 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.221 -0.071 1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.082 0.406 3.029 1.00 0.00 H new ATOM 1579 N PHE A 104 11.271 2.155 4.199 1.00 0.00 N ATOM 1580 CA PHE A 104 11.462 3.213 5.185 1.00 0.00 C ATOM 1581 C PHE A 104 12.759 3.005 5.960 1.00 0.00 C ATOM 1582 O PHE A 104 13.334 3.955 6.491 1.00 0.00 O ATOM 1583 CB PHE A 104 10.277 3.256 6.152 1.00 0.00 C ATOM 1584 CG PHE A 104 9.104 4.034 5.629 1.00 0.00 C ATOM 1585 CD1 PHE A 104 8.480 3.662 4.448 1.00 0.00 C ATOM 1586 CD2 PHE A 104 8.623 5.136 6.317 1.00 0.00 C ATOM 1587 CE1 PHE A 104 7.401 4.376 3.964 1.00 0.00 C ATOM 1588 CE2 PHE A 104 7.544 5.854 5.838 1.00 0.00 C ATOM 1589 CZ PHE A 104 6.931 5.473 4.660 1.00 0.00 C ATOM 0 H PHE A 104 11.400 1.211 4.563 1.00 0.00 H new ATOM 0 HA PHE A 104 11.525 4.164 4.656 1.00 0.00 H new ATOM 0 HB2 PHE A 104 9.959 2.236 6.369 1.00 0.00 H new ATOM 0 HB3 PHE A 104 10.603 3.696 7.094 1.00 0.00 H new ATOM 0 HD1 PHE A 104 8.842 2.804 3.900 1.00 0.00 H new ATOM 0 HD2 PHE A 104 9.097 5.438 7.239 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.925 4.077 3.042 1.00 0.00 H new ATOM 0 HE2 PHE A 104 7.180 6.712 6.384 1.00 0.00 H new ATOM 0 HZ PHE A 104 6.086 6.031 4.284 1.00 0.00 H new TER 1599 PHE A 104